ChemSpider 2D Image | 4-Hydroxy-6-({4'-hydroxy-6-[(3-hydroxy-2-{[4-hydroxy-6-{[7'-hydroxy-7'-(1-hydroxyethyl)-7-(isobutyryloxy)-6'-methyloctahydro-4H-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy}-5-methoxy-2-(methoxymet hyl)tetrahydro-2H-pyran-3-yl]oxy}-5-methoxy-6-methyltetrahydro-2H-pyran-4-yl)oxy]-4,6',7a-trimethyloctahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-5'-yl}oxy)-2-methyltetrahydro-2H-pyran-3-yl 2, 4-dihydroxy-6-methylbenzoate (non-preferred name) | C60H90O32

4-Hydroxy-6-({4'-hydroxy-6-[(3-hydroxy-2-{[4-hydroxy-6-{[7'-hydroxy-7'-(1-hydroxyethyl)-7-(isobutyryloxy)-6'-methyloctahydro-4H-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy}-5-methoxy-2-(methoxymet hyl)tetrahydro-2H-pyran-3-yl]oxy}-5-methoxy-6-methyltetrahydro-2H-pyran-4-yl)oxy]-4,6',7a-trimethyloctahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-5'-yl}oxy)-2-methyltetrahydro-2H-pyran-3-yl 2, 4-dihydroxy-6-methylbenzoate (non-preferred name)

  • Molecular FormulaC60H90O32
  • Average mass1323.337 Da
  • Monoisotopic mass1322.541504 Da
  • ChemSpider ID78443635

More details:

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

Gavibamycin B3

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.605
Molar Refractivity: 306.6±0.4 cm3
#H bond acceptors: 32
#H bond donors: 8
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 4
ACD/LogP: 12.10
ACD/LogD (pH 5.5): 7.04
ACD/BCF (pH 5.5): 131613.63
ACD/KOC (pH 5.5): 160284.73
ACD/LogD (pH 7.4): 6.81
ACD/BCF (pH 7.4): 77575.95
ACD/KOC (pH 7.4): 94475.34
Polar Surface Area: 399 Å2
Polarizability: 121.5±0.5 10-24cm3
Surface Tension: 71.5±5.0 dyne/cm
Molar Volume: 889.7±5.0 cm3

Click to predict properties on the Chemicalize site


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