Deprecated ChemSpider Record

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  • Molecular FormulaC9H18O6
  • Average mass222.236 Da
  • Monoisotopic mass222.110336 Da
  • ChemSpider ID96951

More details:

Date of deprecation: 18:24, Oct 23, 2013
Reason for deprecation: Deprecate record: erroneous depiction of a polymer as it's constituent monomers

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

3-Hydroxybutanoic acid - 3-hydroxypentanoic acid (1:1) [ACD/IUPAC Name]
3-Hydroxybutansäure --3-hydroxypentansäure (1:1) [German] [ACD/IUPAC Name]
Acide 3-hydroxybutanoïque - acide 3-hydroxypentanoïque (1:1) [French] [ACD/IUPAC Name]
Butanoic acid, 3-hydroxy-, compd. with 3-hydroxypentanoic acid (1:1) [ACD/Index Name]
3-Hydroxybutanoic acid compound with 3-hydroxypentanoic acid (poly)

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

27826_FLUKA [DBID]
NSC 179698 [DBID]

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

Boiling Point: 253.3±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 57.0±0.0 kJ/mol
Flash Point: 121.2±0.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.61
ACD/LogD (pH 5.5): -1.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 36 Å2
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site