C23CMP – 2',3'-Cyclic CMP

Name
WID C23CMP View in model
Name 2',3'-Cyclic CMP View in model
Traditional name 4-(4-amino-2-oxopyrimidin-1-yl)-6-(hydroxymethyl)-2-oxo-tetrahydro-1,3,5,2$l^{5}-furo[3,4-d][1,3,2$l^{5}]dioxaphosphol-2-olate
IUPAC name 4-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-6-(hydroxymethyl)-2-oxo-tetrahydro-2H-1,3,5,2$l^{5}-furo[3,4-d][1,3,2$l^{5}]dioxaphosphol-2-olate
Cross references BiGG: 23ccmp, PubChem: 5401, ThreeDMET: B01565, KEGG: C02354, BioCyc: CPD-3713
 
Classification
Type cyclic_ribonucleotide_monophosphate View in model
 
Structure
Empirical formula (pH 7.5) H11C9N3O7P1
SMILES (pH 7.5) C1(=CC(N)=NC(=O)N1C3(OC(CO)C2(OP(=O)([O-])OC23)))
Charge (pH 7.5) -1
Is hydrophobic False View in model
Molecular weight (Da) 304.17 View in model
van der Waals volume 
(pH 7.5; Å3 molecule‑1)
224.03
ΔfG'o (pH 7.5, 25C, I = 0; kJ mol‑1) -626.70
pI 1.20
logP -2.26
logD (pH 7.5) -4.40
 
Function
Reaction participant 2',3'-cyclic-nucleotide phosphodiesterase (CMP)
[c]: C23CMP + H2OC3MP + H
View in model
 
Metadata
Created 2012-10-01 15:06:51
Last updated 2012-10-01 15:11:56