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129623-36-5 | Uridine 5'-(tetrahydrogen triphosphate), 5-[3-[(4-azidobenzoyl)amino]-1-propenyl]-2'-deoxy- (9CI)
CAS No: 129623-36-5 Catalog No: AG000Z9J MDL No:
Product Description
Catalog Number:
AG000Z9J
Chemical Name:
Uridine 5'-(tetrahydrogen triphosphate), 5-[3-[(4-azidobenzoyl)amino]-1-propenyl]-2'-deoxy- (9CI)
CAS Number:
129623-36-5
Molecular Formula:
C19H21N6O8P
Molecular Weight:
492.3792
IUPAC Name:
[(2R,3S,5R)-5-[5-[3-[(4-azidobenzoyl)amino]prop-2-enyl]-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxy-oxophosphanium
InChI:
InChI=1S/C19H18N6O8P/c20-24-23-13-5-3-11(4-6-13)17(27)21-7-1-2-12-9-25(19(29)22-18(12)28)16-8-14(26)15(33-16)10-32-34(30)31/h1,3-7,9,14-16,26H,2,8,10H2,(H-2,21,22,27,28,29,30,31)/q-1/p+2/t14-,15+,16+/m0/s1
InChI Key:
QFTHWYVWNRIWFI-ARFHVFGLSA-P
SMILES:
[N-]=[N+]=Nc1ccc(cc1)C(=O)NC=CCc1cn([C@H]2C[C@@H]([C@H](O2)COP(=O)O)O)c(=O)[nH]c1=O
Properties
Complexity:
928
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
491.108g/mol
Formal Charge:
1
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
491.377g/mol
Monoisotopic Mass:
491.108g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
169A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.5
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