ChemSpider 2D Image | (4alpha)-O~3~-[2,6-Dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine | C29H39NO9

(4α)-O3-[2,6-Dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine

  • Molecular FormulaC29H39NO9
  • Average mass545.621 Da
  • Monoisotopic mass545.262512 Da
  • ChemSpider ID65276

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(4α)-O3-[2,6-Dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxin [German] [ACD/IUPAC Name]
(4α)-O3-[2,6-Dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine [ACD/IUPAC Name]
(4α)-O3-[2,6-Dihydroxy-2-(2-méthoxy-2-oxoéthyl)-6-méthylheptanoyl]cephalotaxine [French] [ACD/IUPAC Name]
Cephalotaxine, O3-[2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methyl-1-oxoheptyl]-, (4α)- [ACD/Index Name]
(2R,3S,6R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(13),4,14,19-tetraen-3-yl 1-methyl 3-hydroxy-3-(4-hydroxy-4-methylpentyl)butanedioate
(2R,3S,6R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-3-yl 1-methyl 3-hydroxy-3-(4-hydroxy-4-methylpentyl)butanedioate
1-((1S,3aR,14bR)-2-methoxy-1,5,6,8,9,14b-hexahydro-4H-[1,3]dioxolo[4',5':4,5]benzo[1,2-d]cyclopenta[b]pyrrolo[1,2-a]azepin-1-yl) 4-methyl 2-hydroxy-2-(4-hydroxy-4-methylpentyl)succinate
26833-87-4 [RN]
Cephalotaxine, 4-methyl (2R)-2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate (ester)
Homoharringtonine (Omacetaxine)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS003025 [DBID]
AIDS-003025 [DBID]
BRN 5687925 [DBID]
NSC 141633 [DBID]
NSC141633 [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: 713.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.5±3.0 kJ/mol
Flash Point: 385.1±32.9 °C
Index of Refraction: 1.605
Molar Refractivity: 140.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 3.65
ACD/KOC (pH 5.5): 47.88
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 28.35
ACD/KOC (pH 7.4): 371.63
Polar Surface Area: 124 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 61.3±5.0 dyne/cm
Molar Volume: 408.4±5.0 cm3

Click to predict properties on the Chemicalize site


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