File:(R)-Pantothenic Acid.gif
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(R)-Pantothenic_Acid.gif (600 × 450 pixels, file size: 5.99 MB, MIME type: image/gif, looped, 180 frames, 9.0 s)
Note: Due to technical limitations, thumbnails of high resolution GIF images such as this one will not be animated.
-Pantothenic_Acid.gif){kind=link}
Summary
| Description |
English: 3D space-filling model of (R)-Pantothenic acid rotating about an axis (GIF)
Tiếng Việt: Mô hình không gian 3D của (R)-Pantothenic acid quay quanh trục (GIF) |
| Date | |
| Source | Own work |
| Author | Geoopt1234 |
InChI and InChIKey
InChI: InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m1/s1
InChIKey: GHOKWGTUZJEAQD-SSDOTTSWSA-N
Color legend
Gray/Grey: Carbon
White: Hydrogen
Red: Oxygen
Blue: Nitrogen
Program/Website Credit and Version
The InChI and InChIKey written here was made at InChI Web Demo
This gif was made in ezgif.com
The visualization was made in Jmol-16.3.33
- The starting configuration of the molecule ((R)-Pantothenic.sdf) was downloaded from Pubchem
- The program that was used to make correct geometry of (R)-Pantothenic was xtb: 6.7.1pre (5071a88)
Technical information
Here are some technical details about xtb calculations (command : xtb.exe (R)-Pantothenic.sdf --ohess extreme --alpb water --gfn 2 --chrg 0 -P 1)
g98.out
Frequencies -- 3360.3258 3396.2008 3499.8021 Red. masses -- 1.8809 1.8558 1.8758 Frc consts -- 0.0000 0.0000 0.0000 IR Inten -- 151.2815 139.6720 69.7436 Raman Activ -- 0.0000 0.0000 0.0000 Depolar -- 0.0000 0.0000 0.0000 Atom AN X Y Z X Y Z X Y Z 1 8 0.04 0.10 0.22 -0.00 -0.00 -0.01 0.00 -0.00 0.00 2 8 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.19 0.14 -0.02 3 8 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 4 8 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 5 8 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 6 7 -0.00 -0.00 -0.00 0.03 -0.13 -0.22 0.00 -0.00 -0.00 7 6 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 8 6 -0.01 0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 9 6 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 10 6 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 11 6 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 12 6 0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.00 0.00 0.00 13 6 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 14 6 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 15 6 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 16 1 0.01 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 17 1 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 18 1 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 19 1 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 20 1 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 21 1 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 22 1 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 23 1 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 24 1 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 25 1 -0.00 0.01 0.02 -0.10 0.49 0.83 -0.00 0.00 0.00 26 1 -0.12 -0.42 -0.87 0.00 0.01 0.02 -0.00 -0.00 -0.00 27 1 0.00 -0.00 -0.00 -0.00 0.01 0.02 -0.00 0.00 0.00 28 1 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 29 1 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.77 -0.59 0.09 30 1 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 31 1 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 32 1 0.00 -0.00 -0.00 0.01 -0.01 -0.02 -0.00 0.00 0.00
(R)-Pantothenic acid.sfd
energy: -51.254701082247 gnorm: 0.000029570322 xtb: 6.7.1pre (5071a88)
10292521403D
32 31 0 0 0 999 V2000
2.5785 -1.8574 0.4893 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9755 1.8761 -1.3804 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5576 -1.9679 -1.2371 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1238 1.6467 0.0573 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6544 0.7184 1.4452 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8742 -1.1099 0.2894 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9616 0.5153 0.4191 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5186 -0.9527 0.7009 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5376 0.5905 -1.0111 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0621 0.8778 1.4192 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7861 1.4825 0.5721 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3424 -1.3776 -0.1778 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0972 -1.3803 -0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8174 -0.0885 -0.8310 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1755 0.7781 0.3511 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2388 -1.0278 1.7582 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7989 0.2149 -1.7324 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4252 -0.0437 -1.0684 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6446 1.0182 2.4126 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5552 1.7940 1.1044 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 0.0802 1.4579 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1551 2.5050 0.5659 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2756 1.3217 1.5186 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0683 1.3602 -0.2357 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9938 -0.5945 1.1516 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4318 -2.2663 -0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8294 -1.9483 -1.3280 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7493 -1.9861 0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2093 2.4604 -1.4608 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7296 -0.3162 -1.3813 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1799 0.5103 -1.4863 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3511 2.2354 0.8036 H 0 0 0 0 0 0 0 0 0 0 0 0
1 8 1 0 0 0 0
1 26 1 0 0 0 0
2 9 1 0 0 0 0
2 29 1 0 0 0 0
3 12 2 0 0 0 0
4 15 1 0 0 0 0
4 32 1 0 0 0 0
5 15 2 0 0 0 0
6 12 1 0 0 0 0
6 13 1 0 0 0 0
6 25 1 0 0 0 0
7 8 1 0 0 0 0
7 9 1 0 0 0 0
7 10 1 0 0 0 0
7 11 1 0 0 0 0
8 12 1 0 0 0 0
8 16 1 0 0 0 0
9 17 1 0 0 0 0
9 18 1 0 0 0 0
10 19 1 0 0 0 0
10 20 1 0 0 0 0
10 21 1 0 0 0 0
11 22 1 0 0 0 0
11 23 1 0 0 0 0
11 24 1 0 0 0 0
13 14 1 0 0 0 0
13 27 1 0 0 0 0
13 28 1 0 0 0 0
14 15 1 0 0 0 0
14 30 1 0 0 0 0
14 31 1 0 0 0 0
M END
$$$$
Licensing
I, the copyright holder of this work, hereby publish it under the following license:
 
|
This file is made available under the Creative Commons CC0 1.0 Universal Public Domain Dedication. |
| The person who associated a work with this deed has dedicated the work to the public domain by waiving all of their rights to the work worldwide under copyright law, including all related and neighboring rights, to the extent allowed by law. You can copy, modify, distribute and perform the work, even for commercial purposes, all without asking permission.
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File history
Click on a date/time to view the file as it appeared at that time.
| Date/Time | Thumbnail | Dimensions | User | Comment | |
|---|---|---|---|---|---|
| current | 15:26, 29 October 2025 | | 600 × 450 (5.99 MB) | wikimediacommons>Geoopt1234 | Uploaded own work with UploadWizard |
File usage
The following page uses this file:
-Pantothenic_Acid.gif){kind=link}