Formula |
C29H33N9O12 |
IUPAC Name |
(2s)-2-[[(4s)-4-[[(4s)-4-[[4-[(2-amino-4-oxo-pteridin-6-yl)methylamino]benzoyl]amino]-4-carboxy-butanoyl]amino]-4-carboxy-butanoyl]amino]pentanedioic acid |
Molecular Mass |
699.625 g·mol−1 |
Heat of Formation |
-1927.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
9.88 ± 1.08 D |
Volume |
779.6 Å 3 |
Surface Area |
684.04 Å 2 |
HOMO Energy |
-8.87 ± 0.55 eV |
LUMO Energy |
-1.49 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
WOLQREOUPKZMEX-BZSNNMDCSA-N |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
C
O
N
|
|
|