DNAD – Deamino-NAD+
| Name | ||
|---|---|---|
| WID | DNAD |
|
| Name | Deamino-NAD+ |
|
| Traditional name | 1-[5-({[({[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)phosphinato]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-1$l^{5}-pyridin-1-ylium-3-carboxylate | |
| IUPAC name | 1-[5-({[({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)phosphinato]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-1$l^{5}-pyridin-1-ylium-3-carboxylate | |
| Cross references | ChEBI: 18304, PubChem: 2609, CAS: 6450-77-7, ThreeDMET: B01343, KEGG: C00857, | |
| Structure | ||
| Empirical formula (pH 7.5) | H27C21N6O15P2 | |
| SMILES (pH 7.5) | C(C5(C=CC=[N+](C1(C(C(O)C(O1)COP(=O)([O-])OP([O-])(OCC4(C(O)C(O)C(N2(C3(C(N=C2)=C(N=CN=3)N)))O4))=O)O))C=5))([O-])=O | |
| Charge (pH 7.5) | -2 | |
| Is hydrophobic | False |
|
| Molecular weight (Da) | 665.42 |
|
| van der Waals volume (pH 7.5; Å3 molecule‑1) |
496.56 | |
| ΔfG'o (pH 7.5, 25C, I = 0; kJ mol‑1) | -1399.80 | |
| pI | 2.42 | |
| logP | -10.13 | |
| logD (pH 7.5) | -12.41 | |
| Metadata | ||
| Created | 2012-10-01 15:06:54 | |
| Last updated | 2012-10-01 15:12:03 | |
