MB07133
4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-[[(2S,4S)-2-oxo-4-pyridin-4-yl-1,3,2lambda5-dioxaphosphinan-2-yl]oxymethyl]oxolan-2-yl]pyrimidin-2-one
Molecular Identity
MB07133
4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-[[(2S,4S)-2-oxo-4-pyridin-4-yl-1,3,2lambda5-dioxaphosphinan-2-yl]oxymethyl]oxolan-2-yl]pyrimidin-2-one
PubChem CID: 76967524
2D Structure
Properties
C17H21N4O8P
Molecular Formula
440.30
Molecular Weight
g/mol
440.1097
Exact Mass
Da
-1.8
XLogP
Drug-like (Lipinski: < 5)
166
TPSA
May have limited oral absorption
3
H-Bond Donors
9
H-Bond Acceptors
758
Complexity
SMILES
Canonical SMILES
SMILES: C1COP(=O)(OC1C2=CC=NC=C2)OCC3C(C(C(O3)N4C=CC(=NC4=O)N)O)OIsomeric SMILES
SMILES: C1CO[P@](=O)(O[C@@H]1C2=CC=NC=C2)OC[C@@H]3[C@H]([C@@H]([C@@H](O3)N4C=CC(=NC4=O)N)O)OSynonyms(18)
BNL5ERR07RMB07133MB 07133MB-07133685111-92-6(2R,4S)-4-amino-1-(5-O-(2-oxo-4-(4-pyridyl)-1,3,2-dioxaphosphorinan-2-yl)-beta-d-arabinofuranosyl)-2(1H)-pyrimidinoneRefChem:156033Cytarabine Prodrug MB07133Cytarabine Monophosphate Prodrug MB071332(1h)-pyrimidinone, 4-amino-1-(5-o-((2r,4s)-2-oxido-4-(4-pyridinyl)-1,3,2-dioxaphosphorinan-2-yl)-beta-d-arabinofuranosyl)-4-amino-1-(5-o-((2r, 4s)-2-oxido-4-(4-pyridinyl)-1, 3, 2-dioxaphosphorinan-2-yl)-beta-d-arabinofuranosyl)-2(1h)-pyrimidinoneUNII-BNL5ERR07RMB 71334-Amino-1-(5-O-(2-oxo-4-(4-pyridyl)-1,3,2-dioxaphosphorinan-2-yl)arabinofuranosyl)-2(1H)-pyrimidinoneMB 07133 [WHO-DD]
Data from PubChem (NCBI)
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