ChemSpider 2D Image | 6-({6-[(2-{[6-{[7'-Acetyl-7'-hydroxy-7-(isobutyryloxy)-6'-methyloctahydro-4H-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy}-4-hydroxy-5-methoxy-2-(methoxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-3-hydro xy-5-methoxy-6-methyltetrahydro-2H-pyran-4-yl)oxy]-4'-hydroxy-4,6',7a-trimethyloctahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-5'-yl}oxy)-4-hydroxy-2-methyltetrahydro-2H-pyran-3-yl 2,4-dihydrox y-6-methylbenzoate (non-preferred name) | C60H88O32

6-({6-[(2-{[6-{[7'-Acetyl-7'-hydroxy-7-(isobutyryloxy)-6'-methyloctahydro-4H-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy}-4-hydroxy-5-methoxy-2-(methoxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-3-hydro xy-5-methoxy-6-methyltetrahydro-2H-pyran-4-yl)oxy]-4'-hydroxy-4,6',7a-trimethyloctahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-5'-yl}oxy)-4-hydroxy-2-methyltetrahydro-2H-pyran-3-yl 2,4-dihydrox y-6-methylbenzoate (non-preferred name)

  • Molecular FormulaC60H88O32
  • Average mass1321.322 Da
  • Monoisotopic mass1320.525879 Da
  • ChemSpider ID78443650

More details:

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

6-({6-[(2-{[6-{[7'-Acetyl-7'-hydroxy-7-(isobutyryloxy)-6'-methyloctahydro-4H-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy}-4-hydroxy-5-methoxy-2-(methoxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-3-hydro xy-5-methoxy-6-methyltetrahydro-2H-pyran-4-yl)oxy]-4'-hydroxy-4,6',7a-trimethyloctahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-5'-yl}oxy)-4-hydroxy-2-methyltetrahydro-2H-pyran-3-yl 2,4-dihydrox y-6-methylbenzoate (non-preferred name) [ACD/IUPAC Name]
Gavibamycin B1

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: 1.603
Molar Refractivity: 305.2±0.4 cm3
#H bond acceptors: 32
#H bond donors: 7
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 4
ACD/LogP: 13.72
ACD/LogD (pH 5.5): 8.14
ACD/BCF (pH 5.5): 903124.44
ACD/KOC (pH 5.5): 636225.81
ACD/LogD (pH 7.4): 7.91
ACD/BCF (pH 7.4): 532171.75
ACD/KOC (pH 7.4): 374900.03
Polar Surface Area: 396 Å2
Polarizability: 121.0±0.5 10-24cm3
Surface Tension: 70.8±5.0 dyne/cm
Molar Volume: 888.6±5.0 cm3

Click to predict properties on the Chemicalize site


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