Found 386 results

Search term: MF = 'C_{30}H_{39}NO_{6}'
ChemSpider 2D Image | 2'-(2-Hydroxy-2-propanyl)-2'-methoxy-2,4a',9a'-trimethyl-1,2,3',4',4a',5',6',6a',9a',11a'-decahydro-2'H-spiro[3,1-benzoxazine-4,8'-indeno[5,4-f]chromene]-9',11'(4b'H,7'H)-dione | C30H39NO6

2'-(2-Hydroxy-2-propanyl)-2'-methoxy-2,4a',9a'-trimethyl-1,2,3',4',4a',5',6',6a',9a',11a'-decahydro-2'H-spiro[3,1-benzoxazine-4,8'-indeno[5,4-f]chromene]-9',11'(4b'H,7'H)-dione

  • Molecular FormulaC30H39NO6
  • Average mass509.634 Da
  • Monoisotopic mass509.277740 Da
  • ChemSpider ID512707

More details:

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

2'-(2-Hydroxy-2-propanyl)-2'-methoxy-2,4a',9a'-trimethyl-1,2,3',4',4a',5',6',6a',9a',11a'-decahydro-2'H-spiro[3,1-benzoxazine-4,8'-indeno[5,4-f]chromene]-9',11'(4b'H,7'H)-dione [ACD/IUPAC Name]
Spiro[4H-3,1-benzoxazine-4,8'(2'H)-cyclopenta[5,6]naphtho[2,1-b]pyran]-9',11'(6'H,7'H)-dione, 1,2,3',4',4'a,4'b,5',6'a,9'a,11'a-decahydro-2'-(1-hydroxy-1-methylethyl)-2'-methoxy-2,4'a,9'a-trimethyl- [ACD/Index Name]
Spiro(2,4-benzoxazine)-1',8-(pyrano[3,2-b]cyclopenta[f]naphthalene-9,11-dione), 3',4',2,3,4,4a,4b,5,6,7,9a,11a-dodecahydro-2-methoxy-2-(1-hydroxy-1-metthylethyl)-3,4a,9a-trimethyl-

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

Density: 1.3±0.1 g/cm3
Boiling Point: 683.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.3±3.0 kJ/mol
Flash Point: 367.4±31.5 °C
Index of Refraction: 1.605
Molar Refractivity: 137.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 181.70
ACD/KOC (pH 5.5): 1441.19
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 181.90
ACD/KOC (pH 7.4): 1442.79
Polar Surface Area: 94 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 54.7±5.0 dyne/cm
Molar Volume: 400.7±5.0 cm3

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