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β-D-Galactose pentapivalate

CAT: 0024-sc-227732Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-227732Size:5 g
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CAS Number
108342-85-4

Chemical Information

1,2,3,4,6-Pentakis-O-(2,2-dimethylpropanoyl)-D-galactopyranose
CAS Number108342-85-4
PubChem CID11284859
IUPAC Name[(2R,3S,4S,5R)-3,4,5,6-tetrakis(2,2-dimethylpropanoyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate
Molecular FormulaC31H52O11
Molecular Weight600.7
XLogP7.6
Topological Polar Surface Area141
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count16
Heavy Atom Count42
Formal Charge0
Complexity1010
SMILES
CC(C)(C)C(=O)OC[C@@H]1[C@@H]([C@@H]([C@H](C(O1)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C
InChI
InChI=1S/C31H52O11/c1-27(2,3)22(32)37-16-17-18(39-23(33)28(4,5)6)19(40-24(34)29(7,8)9)20(41-25(35)30(10,11)12)21(38-17)42-26(36)31(13,14)15/h17-21H,16H2,1-15H3/t17-,18+,19+,20-,21?/m1/s1
InChIKey
PLXCBOJERHYNCS-IRWSCCLFSA-N
Chemical Structure
2D Structure
2D structure of 1,2,3,4,6-Pentakis-O-(2,2-dimethylpropanoyl)-D-galactopyranose
CAS: 108342-85-4
CID: 11284859
Formula: C31H52O11
MW: 600.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight600.7
XLogP37.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count16
Exact Mass600.35096247
Monoisotopic Mass600.35096247
Topological Polar Surface Area141 Ų
Heavy Atom Count42
Formal Charge0
Complexity1010
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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