Deprecated ChemSpider Record

You have reached the page for a ChemSpider record that has been deprecated.

This page is not active and is only accessible by directly using this URL. If you have been directed here from another website or database please notify the administrator of that resource. See below for more details.

ChemSpider 2D Image | 3,5-Dideoxy-5-(Propanoylamino)-D-Glycero-Alpha-D-Galacto-Non-2-Ulopyranosonic Acid | C12H21NO9

3,5-Dideoxy-5-(Propanoylamino)-D-Glycero-α-D-Galacto-Non-2-Ulopyranosonic Acid

  • Molecular FormulaC12H21NO9
  • Average mass323.296 Da
  • Monoisotopic mass323.121643 Da
  • ChemSpider ID25057571

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

Date of deprecation: 10:11, Aug 26, 2015
Reason for deprecation: Deprecate record: there are no supporting data sources.

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

(6R)-3,5-Dideoxy-5-(propionylamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranosonic acid [ACD/IUPAC Name]
(6R)-3,5-Dideoxy-5-[(Z)-(1-hydroxypropylidene)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranosonic acid [ACD/IUPAC Name]
(6R)-3,5-Didesoxy-5-(propionylamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranosonsäure [German] [ACD/IUPAC Name]
(6R)-3,5-Didesoxy-5-[(Z)-(1-hydroxypropyliden)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranosonsäure [German] [ACD/IUPAC Name]
3,5-Dideoxy-5-(Propanoylamino)-D-Glycero-α-D-Galacto-Non-2-Ulopyranosonic Acid
Acide (6R)-3,5-didésoxy-5-(propionylamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-thréo-hex-2-ulopyranosonique [French] [ACD/IUPAC Name]
Acide (6R)-3,5-didésoxy-5-[(Z)-(1-hydroxypropylidène)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-thréo-hex-2-ulopyranosonique [French] [ACD/IUPAC Name]
D-glycero-α-D-galacto-2-Nonulopyranosonic acid, 3,5-dideoxy-5-[(1-oxopropyl)amino]- [ACD/Index Name]
D-glycero-α-D-galacto-2-Nonulopyranosonic acid, 3,5-dideoxy-5-[[(1Z)-1-hydroxypropylidene]amino]- [ACD/Index Name]
18D

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

Density: 1.6±0.1 g/cm3
Boiling Point: 789.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.9±6.0 kJ/mol
Flash Point: 431.5±32.9 °C
Index of Refraction: 1.604
Molar Refractivity: 70.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -2.60
ACD/LogD (pH 5.5): -5.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 177 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 89.5±5.0 dyne/cm
Molar Volume: 204.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement