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Enocitabine

Molecular FormulaC₃₁H₅₅N₃O₆
Average mass565.785 Da
Monoisotopic mass565.409058 Da
ChemSpider ID64778

- 4 of 4 defined stereocentres

More details:

Names and Synonyms
Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-(β-D-Arabinofuranosyl)-4-(docosanoylamino)-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]

1-(β-D-Arabinofuranosyl)-4-(docosanoylamino)-2(1H)-pyrimidinone [ACD/IUPAC Name]

1-(β-D-Arabinofuranosyl)-4-(docosanoylamino)-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]

1-(β-D-Arabinofuranosyl)-4-(docosanoylamino)pyrimidin-2(1H)-one

2(1H)-Pyrimidinone, 1-β-D-arabinofuranosyl-4-[(1-oxodocosyl)amino]- [ACD/Index Name]

55726-47-1 [RN]

9YVR68W306

Docosanamide, N-(1-β-D-arabinofuranosyl-1,2-dihydro-2-oxo-4-pyrimidinyl)-

Enocitabina [Spanish] [INN]

Enocitabine [INN] [JAN] [Wiki]

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Enocitabine [INN:JAN] [INN] [JAN]

Enocitabinum [Latin]

N-(1-b-D-Arabinofuranosyl-1,2-dihydro-2-oxo-4-pyrimidinyl)docosanamide

N(4)-Behenoyl-1-b-D-arabinofuranosylcytosine

Sunrabin

[55726-47-1] [RN]

1-(?-D-Arabinofuranosyl)-4-(docosanoylamino)-2(1H)-pyrimidinone

7-Benzofurancarboxaldehyde [ACD/Index Name]

Behenoylcytosine arabinoside

Benzofuran-7-carbaldehyde

BHAC

BH-AC

Docosanamide, N-(1-b-D-arabinofuranosyl-1,2-dihydro-2-oxo-4-pyrimidinyl)-

Docosanamide, N-(1-β-D-arabinofuranosyl-1,2-dihydro-2-oxo-4-pyrimidinyl)-

Enocitabina [INN-Spanish]

Enocitabine (JAN) [JAN]

Enocitabinum [INN-Latin]

MFCD00866294 [MDL number]

N-(1-((2R,3S,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)docosanamide

N-(1-β-D-Arabinofuranosyl-1,2-dihydro-2-oxo-4-pyrimidinyl)docosanamide

N(sup 4)-Behenoyl-1-β-D-arabinofuranosylcytosine

N(sup 4)-Behenoylcytosine arabinoside

N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2-oxo-4-pyrimidinyl]docosanamide

N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]docosanamide

N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-pyrimidin-4-yl]docosanamide

N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-oxo-pyrimidin-4-yl]docosanamide

N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-2-keto-pyrimidin-4-yl]behenamide

N-{1-[(2R,3S,4S,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)OXOLAN-2-YL]-2-OXOPYRIMIDIN-4-YL}DOCOSANAMIDE

n4-behenoyl-1-??-d-arabinofuranosylcytosine

UNII:9YVR68W306

UNII-9YVR68W306

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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

5121 [DBID]

BRN 0772101 [DBID]

D01633 [DBID]

NSC 239336 [DBID]

NSC-239336 [DBID]

Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon
Predicted - Mcule

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:	1.2±0.1 g/cm³
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:	1.554
Molar Refractivity:	155.9±0.5 cm³
#H bond acceptors:	9
#H bond donors:	4
#Freely Rotating Bonds:	23
#Rule of 5 Violations:	2

ACD/LogP:	9.00
ACD/LogD (pH 5.5):	6.66
ACD/BCF (pH 5.5):	67938.30
ACD/KOC (pH 5.5):	99896.95
ACD/LogD (pH 7.4):	6.66
ACD/BCF (pH 7.4):	68038.18
ACD/KOC (pH 7.4):	100043.82
Polar Surface Area:	132 Å²
Polarizability:	61.8±0.5 10^-24cm³
Surface Tension:	44.5±7.0 dyne/cm
Molar Volume:	486.0±7.0 cm³

Click to predict properties on the Chemicalize site

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Enocitabine

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