Found 18 results

Search term: MF = 'C_{28}H_{38}O_{14}'
ChemSpider 2D Image | Dimethyl (2aR,3S,4S,4aR,5S,7aS,8S,10R,10aS,10bR)-3,5,8,10-tetrahydroxy-4-[(1S,2S,6S,8S,9R,11S)-2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.0~2,6~.0~9,11~]dodec-9-yl]-4-methyloctahydro-1H-furo[3' ,4':4,4a]naphtho[1,8-bc]furan-5,10a(8H)-dicarboxylate | C28H38O14

Dimethyl (2aR,3S,4S,4aR,5S,7aS,8S,10R,10aS,10bR)-3,5,8,10-tetrahydroxy-4-[(1S,2S,6S,8S,9R,11S)-2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.02,6.09,11]dodec-9-yl]-4-methyloctahydro-1H-furo[3' ,4':4,4a]naphtho[1,8-bc]furan-5,10a(8H)-dicarboxylate

  • Molecular FormulaC28H38O14
  • Average mass598.593 Da
  • Monoisotopic mass598.226135 Da
  • ChemSpider ID8613943

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(2aR,3S,4S,4aR,5S,7aS,8S,10R,10aS,10bR)-3,5,8,10-Tétrahydroxy-4-[(1S,2S,6S,8S,9R,11S)-2-hydroxy-11-méthyl-5,7,10-trioxatétracyclo[6.3.1.02,6.09,11]dodéc-9-yl]-4-méthyloctahydro-1H-furo[3',4':4,4a] 
naphto[1,8-bc]furane-5,10a(8H)-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
1H,7H-Naphtho[1,8a-c:4,5-b'c']difuran-5,10a(8H)-dicarboxylic acid, 4-[(1aR,2S,3aS,6aS,7S,7aS)-hexahydro-6a-hydroxy-7a-methyl-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl]octahydro-3,5,8,10-tetrahy droxy-4-methyl-, dimethyl ester, (2aR,3S,4S,4aR,5S,7aS,8S,10R,10aS,10bR)- [ACD/Index Name]
Dimethyl (2aR,3S,4S,4aR,5S,7aS,8S,10R,10aS,10bR)-3,5,8,10-tetrahydroxy-4-[(1S,2S,6S,8S,9R,11S)-2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.02,6.09,11]dodec-9-yl]-4-methyloctahydro-1H-furo[3' ,4':4,4a]naphtho[1,8-bc]furan-5,10a(8H)-dicarboxylate [ACD/IUPAC Name]
Dimethyl-(2aR,3S,4S,4aR,5S,7aS,8S,10R,10aS,10bR)-3,5,8,10-tetrahydroxy-4-[(1S,2S,6S,8S,9R,11S)-2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.02,6.09,11]dodec-9-yl]-4-methyloctahydro-1H-furo[3' ,4':4,4a]naphtho[1,8-bc]furan-5,10a(8H)-dicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 771.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.1±6.0 kJ/mol
Flash Point: 253.8±26.4 °C
Index of Refraction: 1.660
Molar Refractivity: 135.3±0.4 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: -1.16
ACD/LogD (pH 5.5): -1.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.96
ACD/LogD (pH 7.4): -1.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.95
Polar Surface Area: 203 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 83.7±5.0 dyne/cm
Molar Volume: 366.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement