beta-D-allopyranose
Basic information
- CAS
7283-09-2- Standard SMILES
OC[C@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O- InChIKey
WQZGKKKJIJFFOK-QZABAPFNSA-N- Molecular formula
- C6H12O6
- Average molar mass
- 180.16 g/mol
- Monoisotopic mass
- 180.0633881
Overview
Beta-D-allose is a D-allopyranose with a beta-configuration at the anomeric position. It is an enantiomer of a beta-L-allose.
Names & identifiers
- Preferred name
- beta-D-allopyranose
- IUPAC
- (2R,3R,4R,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
- English name
- beta-D-Allose
- Molecular formula
- C6H12O6
- Molecular weight
- 180.16
Names & synonyms
beta-D-allose7283-09-2beta-D-allopyranose(2R,3R,4R,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrolJJ05IRR0HOCHEBI:40656DTXSID301015883GlyTouCan:G17475NERefChem:936979DTXCID001474038G17475NEB-D-ALLOPYRANOSE
Show more names
PHLβ-D-AlloseALLD22S11FLJ1645D22S662D-ALLOSE2-D-AlloseB-D-ALLOSE
beta-D,L-AlloseMFCD00063268Q271044641rpjbeta-aD-aAllopyranosebeta -D-Allose?-D-Allose(2R,3R,4R,5S,6R)-6-(Hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetraol
Database identifiers
- CAS
7283-09-2- PubChem CID
- 448388
- DTXSID
DTXSID301015883- ChEBI
CHEBI:40656- UNII
- JJ05IRR0HO
- Nikkaji
- J14.496G
Properties
Computed structural properties
- XLogP
- -2.6
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 151
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 148 · 148-150 °C(lit.)
- Boiling point
- 148 · 148-150 C
- Density
- 1.732 · 1.732±0.06 g/cm3(Predicted)
- storage temp.
- -70 °C · -70°C
- solubility
- Methanol (Slightly), Water (Slightly)
- pka
- 12.12 · 12.12±0.70(Predicted)
- form
- Powder
- color
- White
- biological source
- human
- InChI
- 1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5-,6-/m1/s1
- InChIKey
- WQZGKKKJIJFFOK-QZABAPFNSA-N
- SMILES
- OC[C@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O
- CAS DataBase Reference
- 7283 · 7283-09-2(CAS DataBase Reference)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 3-10
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29400000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Usesβ-D-Allose (β-D-Allose), a rare sugar member of the aldohexose family and a C3 epimer of glucose, is used as an inhibitor of fruiting body formation and sporulation in Myxococcus xanthus.
Additional notes
DefinitionChEBI: Beta-D-allose is a D-allopyranose with a beta-configuration at the anomeric position. It is an enantiomer of a beta-L-allose.
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Compound notes
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