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116295-90-0 | Uridine 5'-(tetrahydrogen triphosphate), sodium salt, hydrate (1:3:2)
CAS No: 116295-90-0 Catalog No: AG000C4H MDL No:MFCD00150714
Product Description
Catalog Number:
AG000C4H
Chemical Name:
Uridine 5'-(tetrahydrogen triphosphate), sodium salt, hydrate (1:3:2)
CAS Number:
116295-90-0
Molecular Formula:
C9H12N2O15P3---
Molecular Weight:
481.1173
MDL Number:
MFCD00150714
IUPAC Name:
trisodium;[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate;dihydrate
InChI:
InChI=1S/C9H15N2O15P3.3Na.2H2O/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18;;;;;/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18);;;;2*1H2/q;3*+1;;/p-3/t4-,6-,7-,8-;;;;;/m1...../s1
InChI Key:
KIYVKLDQLQZXKH-GTIFRNKBSA-K
SMILES:
OC1C(COP(=O)(OP(=O)(OP(=O)(O)[O-])[O-])[O-])OC(C1O)n1ccc(=O)[nH]c1=O
UNII:
05161190OB
Properties
Complexity:
820
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
6
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
585.935g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
17
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
586.115g/mol
Monoisotopic Mass:
585.935g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
269A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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