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140428-81-5 | β-D-Glucopyranoside, 2-azidoethyl, 2,3,4,6-tetraacetate
CAS No: 140428-81-5 Catalog No: AG001CER MDL No:MFCD19981034
Product Description
Catalog Number:
AG001CER
Chemical Name:
β-D-Glucopyranoside, 2-azidoethyl, 2,3,4,6-tetraacetate
CAS Number:
140428-81-5
Molecular Formula:
C16H23N3O10
Molecular Weight:
417.3679
MDL Number:
MFCD19981034
IUPAC Name:
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(2-azidoethoxy)oxan-2-yl]methyl acetate
InChI:
InChI=1S/C16H23N3O10/c1-8(20)25-7-12-13(26-9(2)21)14(27-10(3)22)15(28-11(4)23)16(29-12)24-6-5-18-19-17/h12-16H,5-7H2,1-4H3/t12-,13-,14+,15-,16-/m1/s1
InChI Key:
DPAXDKFCBLGMIZ-IBEHDNSVSA-N
SMILES:
[N-]=[N+]=NCCO[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C
Properties
Complexity:
663
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
417.138g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
417.371g/mol
Monoisotopic Mass:
417.138g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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