Found 2 results

Search term: XHVNCHKVWKNRKD (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (7S,8E,11S,13S,16S)-22-Hydroxy-16-(2-hydroxy-2-propanyl)-4,8,13-trimethyl-12,17-dioxatetracyclo[17.3.1.0~3,7~.0~11,13~]tricosa-1(23),3,8,19,21-pentaen-18-one | C27H36O5

(7S,8E,11S,13S,16S)-22-Hydroxy-16-(2-hydroxy-2-propanyl)-4,8,13-trimethyl-12,17-dioxatetracyclo[17.3.1.03,7.011,13]tricosa-1(23),3,8,19,21-pentaen-18-one

  • Molecular FormulaC27H36O5
  • Average mass440.572 Da
  • Monoisotopic mass440.256287 Da
  • ChemSpider ID34526142

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(7S,8E,11S,13S,16S)-22-Hydroxy-16-(2-hydroxy-2-propanyl)-4,8,13-trimethyl-12,17-dioxatetracyclo[17.3.1.03,7.011,13]tricosa-1(23),3,8,19,21-pentaen-18-on [German] [ACD/IUPAC Name]
(7S,8E,11S,13S,16S)-22-Hydroxy-16-(2-hydroxy-2-propanyl)-4,8,13-trimethyl-12,17-dioxatetracyclo[17.3.1.03,7.011,13]tricosa-1(23),3,8,19,21-pentaen-18-one [ACD/IUPAC Name]
(7S,8E,11S,13S,16S)-22-Hydroxy-16-(2-hydroxy-2-propanyl)-4,8,13-triméthyl-12,17-dioxatétracyclo[17.3.1.03,7.011,13]tricosa-1(23),3,8,19,21-pentaén-18-one [French] [ACD/IUPAC Name]
6H-7,11-Methenocyclopent[j]oxireno[e]oxacyclooctadecin-6-one, 1a,2,3,4,12,14,15,15a,18,18a-decahydro-10-hydroxy-4-(1-hydroxy-1-methylethyl)-1a,13,16-trimethyl-, (1aS,4S,15aS,16E,18aS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 627.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.5±3.0 kJ/mol
Flash Point: 207.5±25.0 °C
Index of Refraction: 1.587
Molar Refractivity: 123.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 5.32
ACD/BCF (pH 5.5): 6452.38
ACD/KOC (pH 5.5): 18553.04
ACD/LogD (pH 7.4): 5.27
ACD/BCF (pH 7.4): 5811.05
ACD/KOC (pH 7.4): 16708.95
Polar Surface Area: 79 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 51.1±5.0 dyne/cm
Molar Volume: 367.8±5.0 cm3

Click to predict properties on the Chemicalize site


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