ChemSpider 2D Image | Alnusiin | C41H26O26

Alnusiin

  • Molecular FormulaC41H26O26
  • Average mass934.630 Da
  • Monoisotopic mass934.071228 Da
  • ChemSpider ID4445026
  • defined stereocentres - 4 of 5 defined stereocentres


More details:






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

(12R,15R,32S,33R)-4,5,6,14,20,21,22,25,26,27,38,39,45,46-Tetradecahydroxy-2,10,13,16,31,34,41-heptaoxanonacyclo[34.9.3.03,8.012,33.015,32.018,23.024,29.040,48.043,47]octatetraconta-1(45) ,3,5,7,18,20,22,24,26,28,36(48),37,39,43,46-pentadecaen-9,17,30,35,42-penton [German] [ACD/IUPAC Name]
(12R,15R,32S,33R)-4,5,6,14,20,21,22,25,26,27,38,39,45,46-Tetradecahydroxy-2,10,13,16,31,34,41-heptaoxanonacyclo[34.9.3.03,8.012,33.015,32.018,23.024,29.040,48.043,47]octatetraconta-1(45) ,3,5,7,18,20,22,24,26,28,36(48),37,39,43,46-pentadecaene-9,17,30,35,42-pentone [ACD/IUPAC Name]
(12R,15R,32S,33R)-4,5,6,14,20,21,22,25,26,27,38,39,45,46-Tétradécahydroxy-2,10,13,16,31,34,41-heptaoxanonacyclo[34.9.3.03,8.012,33.015,32.018,23.024,29.040,48.043,47]octatétraconta-1(45) ,3,5,7,18,20,22,24,26,28,36(48),37,39,43,46-pentadécaène-9,17,30,35,42-pentone [French] [ACD/IUPAC Name]
29,31-Etheno-5H-benzo[h]dipyrano[3,2-c:4',3',2'-mn][2,6,10]benzotrioxacyclopentadecin-5,11,20,23,28-pentone, 7,7a,9,9a,21a,21b-hexahydro-1,2,3,9,13,14,15,16,17,18,25,26,30,33-tetradecahydroxy-, (7aR,9 aR,21aS,21bR)- [ACD/Index Name]
Alnusiin [Wiki]
78836-99-4 [RN]

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

C10211 [DBID]

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.805
Molar Refractivity: 206.1±0.3 cm3
#H bond acceptors: 26
#H bond donors: 14
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 3
ACD/LogP: 1.98
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 4.32
ACD/KOC (pH 5.5): 78.02
ACD/LogD (pH 7.4): -2.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 433 Å2
Polarizability: 81.7±0.5 10-24cm3
Surface Tension: 118.0±3.0 dyne/cm
Molar Volume: 480.0±3.0 cm3

Click to predict properties on the Chemicalize site





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