glchm5dC – beta-D-glucosylhydroxymethyl-2'-deoxycytidine

Name
WID	glchm5dC
Name	beta-D-glucosylhydroxymethyl-2'-deoxycytidine
Traditional name	4-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)pyrimidin-2-one
IUPAC name	4-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-1,2-dihydropyrimidin-2-one
Cross references	PubChem: 22908699

Classification
Type	modified_deoxyribonucleoside

Structure
Empirical formula (pH 7.5)	H₂₅C₁₆N₃O₁₀
SMILES (pH 7.5)	C1C(C(OC1N2C=C(C(=NC2=O)N)COC3C(C(C(C(O3)CO)O)O)O)CO)O
Charge (pH 7.5)	0
Is hydrophobic	False
Molecular weight (Da)	419.38
van der Waals volume (pH 7.5; Å³ molecule^‑1)	352.99
pI	5.64
logP	-4.55
logD (pH 7.5)	-4.55

Function
Reaction participant	5'-nucleotidase (beta-D-glucosylhydroxymethyl-2'-deoxycytidine monophosphate) [c]: glchm5dCMP + H2O ⇒ glchm5dC + PI beta-D-glucosylhydroxymethyl-2'-deoxycytidine transport glchm5dC[e] ⇔ glchm5dC[c]

Metadata
Created	2012-10-01 15:06:59
Last updated	2012-10-01 15:12:12