ChemSpider 2D Image | deoxyharringtonine | C28H37NO8

deoxyharringtonine

  • Molecular FormulaC28H37NO8
  • Average mass515.595 Da
  • Monoisotopic mass515.251892 Da
  • ChemSpider ID251502

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

36804-95-2 [RN]
Cephalotaxine, O3-[(2R)-2-hydroxy-2-(2-methoxy-2-oxoethyl)-5-methyl-1-oxohexyl]- [ACD/Index Name]
deoxyharringtonine
O3-[(2R)-2-Hydroxy-2-(2-methoxy-2-oxoethyl)-5-methylhexanoyl]cephalotaxin [German] [ACD/IUPAC Name]
O3-[(2R)-2-Hydroxy-2-(2-methoxy-2-oxoethyl)-5-methylhexanoyl]cephalotaxine [ACD/IUPAC Name]
O3-[(2R)-2-Hydroxy-2-(2-méthoxy-2-oxoéthyl)-5-méthylhexanoyl]cephalotaxine [French] [ACD/IUPAC Name]
()-deoxyharringtonine
1-[4-methoxy-(2S,3S,6S)-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 4-methyl 2-hydroxy-2-isopentyl-(2R)-butanedioate
Cephalotaxine, 4-methyl 2-hydroxy-2- (3-methylbutyl)butanedioate (ester), [3(R)]-
Cephalotaxine, 4-methyl 2-hydroxy-2-(3-methylbutyl)butanedioate (ester), [3(R)]-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NSC142196 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 645.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 344.4±31.5 °C
Index of Refraction: 1.596
Molar Refractivity: 134.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.35
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 12.85
ACD/KOC (pH 5.5): 117.82
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 99.82
ACD/KOC (pH 7.4): 915.07
Polar Surface Area: 104 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 57.3±5.0 dyne/cm
Molar Volume: 395.3±5.0 cm3

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