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Inherent Properties, Identifiers and References

ChemSpider ID:	17216046
Empirical Formula:	C₆H₁₄O₁₁P₂
Molecular Weight:	324.1163
Nominal Mass:	324 Da
Average Mass:	324.1163 Da
Monoisotopic Mass:	324.001133 Da

Systematic Name:

SMILES:

OP(O)(=O)OC[C@H]1O[C@@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O

InChI:

InChIKey:

-

(Details...)

Predicted Properties

LogP:		# of Rule of 5 Violations:	2
ACD/LogD (pH 5.5):		ACD/LogD (pH 7.4):
ACD/BCF (pH 5.5):	1	ACD/BCF (pH 7.4):	1
ACD/KOC (pH 5.5):	1	ACD/KOC (pH 7.4):	1
#H bond acceptors:	11	#H bond donors:	6
#Freely Rotating Bonds:	8	Polar Surface Area:	202.83 Å²
Index of Refraction:	1.585	Molar Refractivity:	55.99 cm³
Molar Volume:	166.9 cm³	Polarizability:	22.19 10^-24cm³
Surface Tension:	107.4 dyne/cm	Density:	1.941 g/cm³
Flash Point:	380.3 °C	Enthalpy of Vaporization:	117.92 kJ/mol
Boiling Point:	705.2 °C at 760 mmHg	Vapour Pressure:	5.52E-23 mmHg at 25°C