cmnm5s2U – 5-carboxymethylaminomethyl-2-thiouridine

Name
WID cmnm5s2U View in model
Name 5-carboxymethylaminomethyl-2-thiouridine View in model
Traditional name [({1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-2-sulfanylidene-3H-pyrimidin-5-yl}methyl)amino]acetic acid
IUPAC name 2-[({1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl}methyl)amino]acetic acid
Cross references PubChem: 24536988, CAS: 78173-95-2
 
Structure
Empirical formula (pH 7.5) H17C12N3O7S1
SMILES (pH 7.5) OCC1OC(C(O)C1O)N1C=C(CNCC(O)=O)C(=O)NC1=S
Charge (pH 7.5) 0
Is hydrophobic False View in model
Molecular weight (Da) 347.34 View in model
van der Waals volume 
(pH 7.5; Å3 molecule‑1)
282.06
pI 4.54
logP -5.21
logD (pH 7.5) -5.31
 
Function
Reaction participant View in model
 
Metadata
Created 2012-10-01 15:06:52
Last updated 2012-10-01 15:11:58