Products for Research Use Only

Anthrose

CAT: 0926-MA05165-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-MA05165-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
769959-88-8
Synonyms
4,6-Dideoxy-4- (3-hydroxy-3-methylbutanamido) -2-O-methyl-D-glucopyranose
MDL Number
MFCD09750697
Smiles
CC1[C@H] (C (C ([C@@H] (O1) O) OC) O) NC (=O) CC (C) (C) O
Molecular Formula
C12H23NO6
Molecular Weight
277.31 g/mol
Controlled
No

Chemical Information

Beta-anthropyranose

Beta-anthropyranose is an amino monosaccharide consisting of D-glucose having a 3-hydroxy-3-methylbutanamido group at the 4-position, a 2-O-methyl group and lacking the 6-hydroxy group.

CAS Number769959-88-8
PubChem CID50906608
IUPAC NameN-[(2R,3S,4S,5R,6R)-4,6-dihydroxy-5-methoxy-2-methyloxan-3-yl]-3-hydroxy-3-methylbutanamide
Molecular FormulaC12H23NO6
Molecular Weight277.31
XLogP-1.1
Topological Polar Surface Area108
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity321
SMILES
C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)OC)O)NC(=O)CC(C)(C)O
InChI
InChI=1S/C12H23NO6/c1-6-8(13-7(14)5-12(2,3)17)9(15)10(18-4)11(16)19-6/h6,8-11,15-17H,5H2,1-4H3,(H,13,14)/t6-,8-,9+,10-,11-/m1/s1
InChIKey
XXOSQKWOPXPGQY-WVTGURRWSA-N
Chemical Structure
2D Structure
2D structure of Beta-anthropyranose
CAS: 769959-88-8
CID: 50906608
Formula: C12H23NO6
MW: 277.31
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight277.31
XLogP3-1.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass277.15253745
Monoisotopic Mass277.15253745
Topological Polar Surface Area108 Ų
Heavy Atom Count19
Formal Charge0
Complexity321
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes