Found 1 result

Search term: 4946534 (Found by CSID)
ChemSpider 2D Image | 1-C-[(2R,5R,7R,8E,10E,12R,14S,16R,19R,20S,27S,28S,29R,32R,33R,35R)-35-Carboxy-28-hydroxy-5,7,9,19,29-pentamethyl-18,31-dioxo-13,17,38,39,40,41,42,43-octaoxaoctacyclo[31.4.1.1~1,35~.1~2,5~.1~20,24~.1~2 4,27~.1~29,32~.0~12,16~]tritetraconta-8,10-dien-14-yl]-3,4-dideoxy-3-methyl-beta-D-erythro-pentopyranose | C47H68O16

1-C-[(2R,5R,7R,8E,10E,12R,14S,16R,19R,20S,27S,28S,29R,32R,33R,35R)-35-Carboxy-28-hydroxy-5,7,9,19,29-pentamethyl-18,31-dioxo-13,17,38,39,40,41,42,43-octaoxaoctacyclo[31.4.1.11,35.12,5.120,24.12 4,27.129,32.012,16]tritetraconta-8,10-dien-14-yl]-3,4-dideoxy-3-methyl-β-D-erythro-pentopyranose

  • Molecular FormulaC47H68O16
  • Average mass889.033 Da
  • Monoisotopic mass888.450745 Da
  • ChemSpider ID4946534

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 17 of 19 defined stereocentres

More details:

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

1-C-[(2R,5R,7R,8E,10E,12R,14S,16R,19R,20S,27S,28S,29R,32R,33R,35R)-35-Carboxy-28-hydroxy-5,7,9,19,29-pentamethyl-18,31-dioxo-13,17,38,39,40,41,42,43-octaoxaoctacyclo[31.4.1.11,35.12,5.120,24.12 4,27.129,32.012,16]tritetraconta-8,10-dien-14-yl]-3,4-dideoxy-3-methyl-β-D-erythro-pentopyranose [ACD/IUPAC Name]
1-C-[(2R,5R,7R,8E,10E,12R,14S,16R,19R,20S,27S,28S,29R,32R,33R,35R)-35-Carboxy-28-hydroxy-5,7,9,19,29-pentamethyl-18,31-dioxo-13,17,38,39,40,41,42,43-octaoxaoctacyclo[31.4.1.11,35.12,5.120,24.12 4,27.129,32.012,16]tritetraconta-8,10-dien-14-yl]-3,4-didesoxy-3-methyl-β-D-erythro-pentopyranose [German] [ACD/IUPAC Name]
1-C-[(2R,5R,7R,8E,10E,12R,14S,16R,19R,20S,27S,28S,29R,32R,33R,35R)-35-Carboxy-28-hydroxy-5,7,9,19,29-pentaméthyl-18,31-dioxo-13,17,38,39,40,41,42,43-octaoxaoctacyclo[31.4.1.11,35.12,5.120,24.12 4,27.129,32.012,16]tritétraconta-8,10-dién-14-yl]-3,4-didésoxy-3-méthyl-β-D-érythro-pentopyranose [French] [ACD/IUPAC Name]
124760-17-4 [RN]
124843-18-1 [RN]

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: 1.600
Molar Refractivity: 222.8±0.4 cm3
#H bond acceptors: 16
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 3
ACD/LogP: 6.12
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 5.74
ACD/KOC (pH 5.5): 24.84
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.48
Polar Surface Area: 215 Å2
Polarizability: 88.3±0.5 10-24cm3
Surface Tension: 63.2±5.0 dyne/cm
Molar Volume: 651.6±5.0 cm3

Click to predict properties on the Chemicalize site


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