DTXSID401175036

[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

CAS: 75414-16-3

Molecular Formula	`C11H16N2O8P+`
Molecular Weight	335.23 g/mol
LogP	-3.4
Topological Polar Surface Area	163.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	8
Rotatable Bonds	5
Exact Mass	335.06442
Heavy Atoms	22
Complexity	457.0

Chemical Identifiers

CAS Number	75414-16-3
SMILES	`C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)O)O)O)C(=O)N`
InChIKey	`DAYLJWODMCOQEW-TURQNECASA-O`

📖 Product Overview

DTXSID401175036 (CAS: 75414-16-3) is a chemical compound with molecular formula C11H16N2O8P+ and molecular weight 335.23 g/mol. Its IUPAC systematic name is [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate. LogP -3.4 Topological Polar Surface Area 163.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 8 Rotatable Bonds 5 Exact Mass 335.06442 Heavy Atoms 22 Complexity 457.0 InChI Key: DAYLJWODMCOQEW-TURQNECASA-O. SMILES: C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)O)O)O)C(=O)N.

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