C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O
CAS: 147-94-4
Name: 4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
SMILES: C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O

Molecular Processing

Molecular formula
C9H13N3O5
Molecular weight
243.22
Exact mass
243.0855
XLogP
-2.56
TPSA
130.83
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
55.92

Supplementary Information

InChIKey: UHDGCWIWMRVCDJ-CCXZUQQUSA-N
Synonyme
cytarabine147-94-4Ara-CCytosine arabinosideAracytidineCytarabinosideArabinocytidineSpongocytidineAracytinAlexanDepocytUdicilCytosar-UAracytineArabitinErpalfaCytarabinaArafcytCytosine beta-D-arabinofuranoside1-beta-D-ArabinofuranosylcytosineDepoCytearabinocytosineCitarabinaCytarabinumCytosarArabinofuranosylcytosineCytosine-beta-D-arabinofuranosideCytosinearabinoside4-Amino-1-beta-D-arabinofuranosyl-2(1H)-pyrimidinoneArabinosylcytosine
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