β-Gentiobiose octaacetate

CAT: 0013-GTR19247271-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19247271-01Size:100 mg

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Description

β-Gentiobiose octaacetate has potential applications in glycobiology research.

CAS Number

4613-78-9

Smiles

CC (O[C@H]1[C@@H] ([C@H] (O[C@H] ([C@@H]1OC (C) =O) OC (C) =O) CO[C@H]2[C@@H] ([C@H] ([C@@H] ([C@H] (O2) COC (C) =O) OC (C) =O) OC (C) =O) OC (C) =O) OC (C) =O) =O

Molecular Formula

C28H38O19

Molecular Weight

678.59

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Beta-gentiobiose octaacetate

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CAS Number	4613-78-9
PubChem CID	14157824
IUPAC Name	[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methoxy]oxan-2-yl]methyl acetate
Molecular Formula	C28H38O19
Molecular Weight	678.6
XLogP	0.2
Topological Polar Surface Area	238
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	19
Rotatable Bond Count	20
Heavy Atom Count	47
Formal Charge	0
Complexity	1200

SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C28H38O19/c1-11(29)37-9-19-21(39-12(2)30)23(41-14(4)32)25(43-16(6)34)27(46-19)38-10-20-22(40-13(3)31)24(42-15(5)33)26(44-17(7)35)28(47-20)45-18(8)36/h19-28H,9-10H2,1-8H3/t19-,20-,21-,22-,23+,24+,25-,26-,27-,28-/m1/s1

InChIKey

GNTLGGDVHFXGLI-QACPWNKNSA-N

Chemical Structure

2D Structure

CAS: 4613-78-9

CID: 14157824

Formula: C28H38O19

MW: 678.6

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	678.6
XLogP3	0.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	19
Rotatable Bond Count	20
Exact Mass	678.20072898
Monoisotopic Mass	678.20072898
Topological Polar Surface Area	238 Å²
Heavy Atom Count	47
Formal Charge	0
Complexity	1200
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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sc-284977A	β-Gentiobiose octaacetate
297088-01	Gentiobiose octaacetate
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OG28867-01	Beta-Gentiobiose octaacetate
G-2450-01	Gentiobiose
sc-280730B	β-Gentiobiose
445555	D-Gentiobiose
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BUP00142-01	SS-Gentiobiose
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β-Gentiobiose octaacetate

Chemical Information

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