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10026-54-7 | α-D-Glucopyranose, 2-(acetylamino)-2-deoxy-6-O-(triphenylmethyl)-, 1,3,4-triacetate
CAS No: 10026-54-7 Catalog No: AG0001EW MDL No:MFCD00275344
Product Description
Catalog Number:
AG0001EW
Chemical Name:
α-D-Glucopyranose, 2-(acetylamino)-2-deoxy-6-O-(triphenylmethyl)-, 1,3,4-triacetate
CAS Number:
10026-54-7
Molecular Formula:
C33H35NO9
Molecular Weight:
589.6323
MDL Number:
MFCD00275344
IUPAC Name:
[5-acetamido-4,6-diacetyloxy-2-(trityloxymethyl)oxan-3-yl] acetate
InChI:
InChI=1S/C33H35NO9/c1-21(35)34-29-31(41-23(3)37)30(40-22(2)36)28(43-32(29)42-24(4)38)20-39-33(25-14-8-5-9-15-25,26-16-10-6-11-17-26)27-18-12-7-13-19-27/h5-19,28-32H,20H2,1-4H3,(H,34,35)
InChI Key:
SDKBHKMVFPXAOA-UHFFFAOYSA-N
SMILES:
CC(=O)O[C@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]([C@@H]([C@H]1NC(=O)C)OC(=O)C)OC(=O)C
NSC Number:
108103
Properties
Complexity:
907
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
589.231g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
589.641g/mol
Monoisotopic Mass:
589.231g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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