4-Amino-1-(4-{[(3S)-3-Amino-5-(N-Methylcarbamimidamido)Pentanoyl]Amino}-2,3,4-Trideoxy-D-Erythro-Hex-2-Enopyranuronosyl)-5-(Hydroxymethyl)-2(1H)-Pyrimidinone
Properties
Property | Value |
---|---|
Formula | C18H29N8O6+ |
IUPAC Name | (2s,3s,6r)-3-[[(3s)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-[4-amino-5-(hydroxymethyl)-2-oxo-pyrimidin-1-yl]-3,6-dihydro-2h-pyran-2-carboxylic acid |
Molecular Mass | 453.473 g·mol−1 |
Heat of Formation | -861.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.58 ± 1.08 D |
Volume | 530.23 Å 3 |
Surface Area | 440.82 Å 2 |
HOMO Energy | -9.55 ± 0.55 eV |
LUMO Energy | -0.65 ± eV |
Point Group Symmetry | C1 |
InChIKey | MDTSQXWUAJPTCD-VTPLQMEGSA-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 |