ChemSpider 2D Image | 1-Adamantan-1-yl-3-(3-{(2R,4R,5S,6S)-4-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl}phenyl)urea | C37H49N3O6

1-Adamantan-1-yl-3-(3-{(2R,4R,5S,6S)-4-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl}phenyl)urea

  • Molecular FormulaC37H49N3O6
  • Average mass631.802 Da
  • Monoisotopic mass631.362122 Da
  • ChemSpider ID5122202

  • defined stereocentres - 4 of 8 defined stereocentres

More details:

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

1-Adamantan-1-yl-3-(3-{(2R,4R,5S,6S)-4-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl}phenyl)harnstoff [German] [ACD/IUPAC Name]
1-Adamantan-1-yl-3-(3-{(2R,4R,5S,6S)-4-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl}phenyl)urea [ACD/IUPAC Name]
1-Adamantan-1-yl-3-(3-{(2R,4R,5S,6S)-4-(1,4-dioxa-8-azaspiro[4.5]déc-8-ylméthyl)-6-[4-(hydroxyméthyl)phényl]-5-méthyl-1,3-dioxan-2-yl}phényl)urée [French] [ACD/IUPAC Name]
Urea, N-[3-[(2R,4R,5S,6S)-4-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]-N'-tricyclo[3.3.1.13,7]dec-1-yl- [ACD/Index Name]

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

DIOX2_008532 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.638
Molar Refractivity: 174.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 9.05
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 174.68
ACD/KOC (pH 5.5): 206.70
ACD/LogD (pH 7.4): 5.60
ACD/BCF (pH 7.4): 4583.52
ACD/KOC (pH 7.4): 5423.70
Polar Surface Area: 102 Å2
Polarizability: 69.2±0.5 10-24cm3
Surface Tension: 62.0±5.0 dyne/cm
Molar Volume: 485.8±5.0 cm3

Click to predict properties on the Chemicalize site


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