ChemSpider 2D Image | (1R,3a'S,10'S,10a'R)-7-Methoxy-2-oxo-10',10a'-dihydro-2H,3a'H-spiro[naphthalene-1,3'-pentaleno[1,2-b]naphthalen]-10'-yl 2,6-dideoxy-2-(methylamino)-alpha-D-galactopyranoside | C33H33NO6

(1R,3a'S,10'S,10a'R)-7-Methoxy-2-oxo-10',10a'-dihydro-2H,3a'H-spiro[naphthalene-1,3'-pentaleno[1,2-b]naphthalen]-10'-yl 2,6-dideoxy-2-(methylamino)-α-D-galactopyranoside

  • Molecular FormulaC33H33NO6
  • Average mass539.618 Da
  • Monoisotopic mass539.230774 Da
  • ChemSpider ID17218362
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

(1R,3a'S,10'S,10a'R)-7-Methoxy-2-oxo-10',10a'-dihydro-2H,3a'H-spiro[naphthalene-1,3'-pentaleno[1,2-b]naphthalen]-10'-yl 2,6-dideoxy-2-(methylamino)-α-D-galactopyranoside [ACD/IUPAC Name]
Spiro[naphthalene-1(2H),3'(10'H)-pentaleno[1,2-b]naphthalen]-2-one, 10'-[[2,6-dideoxy-2-(methylamino)-α-D-galactopyranosyl]oxy]-3'a,10'a-dihydro-7-methoxy-, (1R,3a'S,10'S,10a'R)- [ACD/Index Name]
S2A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 717.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.1±3.0 kJ/mol
Flash Point: 387.9±32.9 °C
Index of Refraction: 1.699
Molar Refractivity: 151.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 5.32
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 4.56
ACD/KOC (pH 5.5): 18.02
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 208.49
ACD/KOC (pH 7.4): 824.50
Polar Surface Area: 97 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 67.8±5.0 dyne/cm
Molar Volume: 391.6±5.0 cm3

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