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CHEMISTRY

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Chemistry

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Also known as: 6386-24-9, (3r,4s,5s,6r)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol, 2,3,4,6-tetrakis-o-(phenylmethyl)-d-galactopyranose, 2,3,4,6-tetra-o-benzyl-d-glucopyranose, Schembl1900721, Dtxsid801224584

Molecular Formula

C₃₄H₃₆O₆

Molecular Weight

540.6 g/mol

InChI Key

OGOMAWHSXRDAKZ-BJPULKCASA-N

CAS 6386-24-9

1 2D Structure

CAS 6386-24-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol

2.1.2 InChI

InChI=1S/C34H36O6/c35-34-33(39-24-29-19-11-4-12-20-29)32(38-23-28-17-9-3-10-18-28)31(37-22-27-15-7-2-8-16-27)30(40-34)25-36-21-26-13-5-1-6-14-26/h1-20,30-35H,21-25H2/t30-,31+,32+,33-,34?/m1/s1

2.1.3 InChI Key

OGOMAWHSXRDAKZ-BJPULKCASA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)COCC2C(C(C(C(O2)O)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

2.1.5 Isomeric SMILES

C1=CC=C(C=C1)COC[C@@H]2[C@@H]([C@@H]([C@H](C(O2)O)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 6386-24-9

2. (3r,4s,5s,6r)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol

3. 2,3,4,6-tetrakis-o-(phenylmethyl)-d-galactopyranose

4. 2,3,4,6-tetra-o-benzyl-d-glucopyranose

5. Schembl1900721

6. Dtxsid801224584

7. Amy36501

8. Akos015919081

9. 2,3,4,6-tetra-o-benzyl-galactopyranose

10. As-18091

11. 2,3,4,6-tetra-o-benzyl-d-galacto-pyranose

12. T2112

13. 2,3,4,6-tetra-o-benzyl-d-galactopyranose 97%

14. 2,3,4,6-tetra-o-benzyl-d-galactose, >=98%

15. 2,3,4,6-tetra-o-benzyl-d-galactopyranose, 97%

16. 2-o,3-o,4-o,6-o-tetrabenzyl-d-galactopyranose

17. (3r,4s,5s,6r)-3,4,5-tris(benzyloxy)-6-(benzyloxymethyl)tetrahydro-2h-pyran-2-ol

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₃₄H₃₆O₆
Molecular Weight	540.6 g/mol
XLogP3	5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	13
Exact Mass	540.25118886 g/mol
Monoisotopic Mass	540.25118886 g/mol
Topological Polar Surface Area	66.4 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	665
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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