N-(4-azido-2-nitrophenyl)-2-aminoethyl diphosphate

HCID 3035637

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Basic information

CAS: 96189-14-9
Standard SMILES: [N-]=[N+]=Nc1ccc(NCCOP(=O)(O)OP(=O)(O)O)c([N+](=O)[O-])c1
InChIKey: KPGCIKDEXQALKK-UHFFFAOYSA-N
Molecular formula: C8H11N5O9P2
Average molar mass: 383.15 g/mol
Monoisotopic mass: 383.00320094

Names & identifiers

Preferred name: N-(4-azido-2-nitrophenyl)-2-aminoethyl diphosphate
IUPAC: 2-(4-azido-2-nitroanilino)ethyl phosphono hydrogen phosphate
English name: N-(4-azido-2-nitrophenyl)-2-aminoethyl diphosphate
Molecular weight: 0

Names & synonyms

NANDPN-(4-Azido-2-nitrophenyl)-2-aminoethyl diphosphate96189-14-9RefChem:162090SCHEMBL29797697DTXSID009146182-(4-Azido-2-nitroanilino)ethyl trihydrogen diphosphateDiphosphoric acid, 5,6,6a,7-tetrahydro-11-methoxy-6-propyl-, (R)-

Database identifiers

CAS: 96189-14-9
PubChem CID: 3035637
DTXSID: DTXSID00914618

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 186 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 12
Rotatable bonds: 8
Heavy atoms: 24
Formal charge: 0
Complexity: 585

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