Found 1 result

Search term: 22913661 (Found by CSID)
ChemSpider 2D Image | (15S,16Z,17S)-16-Ethylidene-4-hydroxy-11,19-dioxo-2,10,14,20-tetraoxatetracyclo[21.2.2.1~3,7~.0~12,17~]octacosa-1(25),3(28),4,6,12,23,26-heptaen-15-yl beta-D-glucopyranoside | C32H36O13

(15S,16Z,17S)-16-Ethylidene-4-hydroxy-11,19-dioxo-2,10,14,20-tetraoxatetracyclo[21.2.2.13,7.012,17]octacosa-1(25),3(28),4,6,12,23,26-heptaen-15-yl β-D-glucopyranoside

  • Molecular FormulaC32H36O13
  • Average mass628.620 Da
  • Monoisotopic mass628.215576 Da
  • ChemSpider ID22913661

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(15S,16Z,17S)-16-Ethyliden-4-hydroxy-11,19-dioxo-2,10,14,20-tetraoxatetracyclo[21.2.2.13,7.012,17]octacosa-1(25),3(28),4,6,12,23,26-heptaen-15-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
(15S,16Z,17S)-16-Ethylidene-4-hydroxy-11,19-dioxo-2,10,14,20-tetraoxatetracyclo[21.2.2.13,7.012,17]octacosa-1(25),3(28),4,6,12,23,26-heptaen-15-yl β-D-glucopyranoside [ACD/IUPAC Name]
6H-10,13-Etheno-19,15-metheno-3H,15H,23H-pyrano[3,4-c][1,7,14]trioxacycloheneicosin-6,23-dione, 4-ethylidene-3-(β-D-glucopyranosyloxy)-4,4a,5,8,9,20,21-heptahydro-16-hydroxy-, (3S,4Z,4aS)- [ACD/Index Name]
β-D-Glucopyranoside de (15S,16Z,17S)-16-éthylidène-4-hydroxy-11,19-dioxo-2,10,14,20-tétraoxatétracyclo[21.2.2.13,7.012,17]octacosa-1(25),3(28),4,6,12,23,26-heptaén-15-yle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 915.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.5±3.0 kJ/mol
Flash Point: 295.1±27.8 °C
Index of Refraction: 1.656
Molar Refractivity: 155.5±0.4 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 0.01
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.98
ACD/KOC (pH 5.5): 56.64
ACD/LogD (pH 7.4): 0.69
ACD/BCF (pH 7.4): 1.94
ACD/KOC (pH 7.4): 55.76
Polar Surface Area: 191 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 77.4±5.0 dyne/cm
Molar Volume: 423.5±5.0 cm3

Click to predict properties on the Chemicalize site


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