[(3As,4R)-2,6-Diamino-10,10-Dihydroxy-9,9-Bis(Sulfooxy)-3A,4,9,10-Tetrahydro-3H,8H-Pyrrolo[1,2-C]Purin-4-Yl]Methyl Carbamate
Properties
Property | Value |
---|---|
Formula | C10H17N7O12S2 |
IUPAC Name | (2,6-diamino-10,10-dihydroxy-9,9-disulfooxy-3,3a,4,8-tetrahydropyrrolo[1,2-c]purin-4-yl)methyl carbamate |
Molecular Mass | 491.412 g·mol−1 |
Heat of Formation | -1966.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.62 ± 1.08 D |
Volume | 455.27 Å 3 |
Surface Area | 376.81 Å 2 |
HOMO Energy | -9.46 ± 0.55 eV |
LUMO Energy | -0.74 ± eV |
Point Group Symmetry | C1 |
InChIKey | BLVHVLVATWRIQR-GWWBTZNMSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C O N |