Found 12 results

Search term: MF = 'C_{42}H_{54}O_{10}'
ChemSpider 2D Image | (1R,4S,10R,11S,12S,13S,14S,15S,16R,18S,19S,21R,23S,24R)-16-(Hydroxymethyl)-21-isopropenyl-10,12,24-trimethyl-13-phenoxy-23-(phenoxymethyl)-2,17,25,26-tetraoxaheptacyclo[12.9.1.1~3,20~.1~3,21~.0~1,19~. 0~11,24~.0~16,18~]hexacosane-4,14,15-triol | C42H54O10

(1R,4S,10R,11S,12S,13S,14S,15S,16R,18S,19S,21R,23S,24R)-16-(Hydroxymethyl)-21-isopropenyl-10,12,24-trimethyl-13-phenoxy-23-(phenoxymethyl)-2,17,25,26-tetraoxaheptacyclo[12.9.1.13,20.13,21.01,19. 011,24.016,18]hexacosane-4,14,15-triol

  • Molecular FormulaC42H54O10
  • Average mass718.872 Da
  • Monoisotopic mass718.371704 Da
  • ChemSpider ID34534604

  • defined stereocentres - 14 of 16 defined stereocentres

More details:

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

(1R,4S,10R,11S,12S,13S,14S,15S,16R,18S,19S,21R,23S,24R)-16-(Hydroxymethyl)-21-isopropenyl-10,12,24-trimethyl-13-phenoxy-23-(phenoxymethyl)-2,17,25,26-tetraoxaheptacyclo[12.9.1.13,20.13,21.01,19. 011,24.016,18]hexacosan-4,14,15-triol [German] [ACD/IUPAC Name]
(1R,4S,10R,11S,12S,13S,14S,15S,16R,18S,19S,21R,23S,24R)-16-(Hydroxymethyl)-21-isopropenyl-10,12,24-trimethyl-13-phenoxy-23-(phenoxymethyl)-2,17,25,26-tetraoxaheptacyclo[12.9.1.13,20.13,21.01,19. 011,24.016,18]hexacosane-4,14,15-triol [ACD/IUPAC Name]
(1R,4S,10R,11S,12S,13S,14S,15S,16R,18S,19S,21R,23S,24R)-16-(Hydroxyméthyl)-21-isopropényl-10,12,24-triméthyl-13-phénoxy-23-(phénoxyméthyl)-2,17,25,26-tétraoxaheptacyclo[12.9.1.13,20.13,21.01,19. 011,24.016,18]hexacosane-4,14,15-triol [French] [ACD/IUPAC Name]
2,14:2,15-Diepoxy-2H-benz[7,8]oxireno[5,6]azuleno[8,1-bc]oxacyclododecin-3,11a,12(3H)-triol, octadecahydro-12a-(hydroxymethyl)-9,10,17b-trimethyl-15-(1-methylethenyl)-11-phenoxy-17-(phenoxymethyl)-, ( 3S,9R,9aS,10S,11S,11aS,12S,12aR,13aS,13bS,15R,17S,17aR,17bR)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.641
Molar Refractivity: 192.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 9.39
ACD/LogD (pH 5.5): 7.82
ACD/BCF (pH 5.5): 512363.88
ACD/KOC (pH 5.5): 425097.03
ACD/LogD (pH 7.4): 7.82
ACD/BCF (pH 7.4): 512361.06
ACD/KOC (pH 7.4): 425094.69
Polar Surface Area: 140 Å2
Polarizability: 76.1±0.5 10-24cm3
Surface Tension: 64.1±5.0 dyne/cm
Molar Volume: 532.2±5.0 cm3

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