ChemSpider 2D Image | Ridaforolimus | C53H84NO14P

Ridaforolimus

  • Molecular FormulaC53H84NO14P
  • Average mass990.206 Da
  • Monoisotopic mass989.562927 Da
  • ChemSpider ID24597928
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 15 of 15 defined stereocentres


More details:






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

(1R,2R,4S)-4-{(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,35R)-1,18-Dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9] hexatriaconta-16,24,26,28-tetraen-12-yl]propyl}-2-methoxycyclohexyl dimethylphosphinate [ACD/IUPAC Name]
(1R,2R,4S)-4-{(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,35R)-1,18-Dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9] hexatriaconta-16,24,26,28-tetraen-12-yl]propyl}-2-methoxycyclohexyl-dimethylphosphinat [German] [ACD/IUPAC Name]
572924-54-0 [RN]
Deforolimus
Diméthylphosphinate de (1R,2R,4S)-4-{(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,35R)-1,18-dihydroxy-19,30-diméthoxy-15,17,21,23,29,35-hexaméthyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-aza ;tricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tétraén-12-yl]propyl}-2-méthoxycyclohexyle [French] [ACD/IUPAC Name]
Phosphinic acid, P,P-dimethyl-, (1R,2R,4S)-2-methoxy-4-[(2R)-2-[(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,26R,27R,34aS)-1,4,5,6,9,10,11,12,13,14,21,22,23,24,25,26,27,28,29,31,32,33,34,34a-tetracosahydr o-9,27-dihydroxy-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-1,5,11,28,29-pentaoxo-23,27-epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclohentriacontin-3-yl]propyl]cyclohexyl ester [ACD/Index Name]
ridaforolimus [Spanish] [INN]
ridaforolimus [French] [INN]
Ridaforolimus [INN] [USAN] [Wiki]
ridaforolimusum [Latin] [INN]
More...

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

AP23573 [DBID]
MK-8669 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 996.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 164.6±6.0 kJ/mol
Flash Point: 556.3±37.1 °C
Index of Refraction: 1.539
Molar Refractivity: 262.9±0.4 cm3
#H bond acceptors: 15
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 4.06
ACD/BCF (pH 5.5): 711.61
ACD/KOC (pH 5.5): 3830.31
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 710.90
ACD/KOC (pH 7.4): 3826.50
Polar Surface Area: 211 Å2
Polarizability: 104.2±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 839.1±5.0 cm3

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