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- Charge
- 2 of 2 defined stereocentres

(2R)-2-[(1S)-1,2-Dihydroxyethyl]-4-hydroxy-5-oxo-2,5-dihydro-3-furanolate (non-preferred name)

ChemSpider ID: 10353305
Molecular Formula: C₆H₇O₆
Monoisotopic mass: 175.024811 Da
Systematic name

(2R)-2-[(1S)-1,2-Dihydroxyethyl]-4-hydroxy-5-oxo-2,5-dihydro-3-furanolate (non-preferred name)
SMILES and InChIs

SMILES:

[O-]\C1=C(/O)C(=O)O[C@@H]1[C@@H](O)CO Copied

Std. InChI:

InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/p-1/t2-,5+/m0/s1 Copied

Std. InChIKey:

CIWBSHSKHKDKBQ-JLAZNSOCSA-M Copied

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Properties

Predicted - ACD/Labs
Predicted - ChemAxon

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

ACD/LogP:	-2.779	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):	-4.22	ACD/LogD (pH 7.4):	-5.89
ACD/BCF (pH 5.5):	1.00	ACD/BCF (pH 7.4):	1.00
ACD/KOC (pH 5.5):	1.00	ACD/KOC (pH 7.4):	1.00
#H bond acceptors:	6	#H bond donors:	4
#Freely Rotating Bonds:	6	Polar Surface Area:	110.05 Å²
Index of Refraction:		Molar Refractivity:	cm³
Molar Volume:	cm³	Polarizability:	10^-24cm³
Surface Tension:	dyne/cm	Density:	g/cm³
Flash Point:	238.199 °C	Enthalpy of Vaporization:	95.777 kJ/mol
Boiling Point:	552.672 °C at 760 mmHg	Vapour Pressure:	0 mmHg at 25°C

Click to predict properties on the Chemicalize site

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