Cellooctaose

CAT: 0926-OC61670-03Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-OC61670-03Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

120434-20-0

Smiles

O ([C@@H]1[C@@H] (CO) O[C@@H] (O[C@@H]2[C@@H] (CO) O[C@@H] (O[C@@H] ([C@@H] ([C@H] (C=O) O) O) [C@@H] (CO) O) [C@H] (O) [C@H]2O) [C@H] (O) [C@H]1O) [C@@H]3O[C@H] (CO) [C@@H] (O[C@@H]4O[C@H] (CO) [C@@H] (O[C@@H]5O[C@H] (CO) [C@@H] (O[C@@H]6O[C@H] (CO) [C@@H] (O[C@@H]7O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]7O) [C@H] (O) [C@H]6O) [C@H] (O) [C@H]5O) [C@H] (O) [C@H]4O) [C@H] (O) [C@H]3O

Molecular Formula

C48H82O41

Molecular Weight

1,315.14 g/mol

Controlled

Chemical Information

Glc(b1-4)Glc(b1-4)Glc(b1-4)Glc(b1-4)Glc(b1-4)Glc(b1-4)Glc(b1-4)aldehydo-Glc

CAS Number	120434-20-0
PubChem CID	165412537
IUPAC Name	(2R,3R,4R,5R)-4-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexanal
Molecular Formula	C48H82O41
Molecular Weight	1315.1
XLogP	-17.9
Topological Polar Surface Area	672
Hydrogen Bond Donor Count	26
Hydrogen Bond Acceptor Count	41
Rotatable Bond Count	26
Heavy Atom Count	89
Formal Charge	0
Complexity	2120

SMILES

C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@H]([C@@H]([C@H]7O)O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)CO)CO)CO)CO)CO)O)O)O)O

InChI

InChI=1S/C48H82O41/c49-1-10(58)19(60)35(11(59)2-50)83-43-29(70)22(63)37(13(4-52)77-43)85-45-31(72)24(65)39(15(6-54)79-45)87-47-33(74)26(67)41(17(8-56)81-47)89-48-34(75)27(68)40(18(9-57)82-48)88-46-32(73)25(66)38(16(7-55)80-46)86-44-30(71)23(64)36(14(5-53)78-44)84-42-28(69)21(62)20(61)12(3-51)76-42/h1,10-48,50-75H,2-9H2/t10-,11+,12+,13+,14+,15+,16+,17+,18+,19+,20+,21-,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42-,43-,44-,45-,46-,47-,48-/m0/s1

InChIKey

SSTNLINHUYOCPF-OEXKNPFOSA-N

Chemical Structure

2D Structure

CAS: 120434-20-0

CID: 165412537

Formula: C48H82O41

MW: 1315.1

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1315.1
XLogP3	-17.9
Hydrogen Bond Donor Count	26
Hydrogen Bond Acceptor Count	41
Rotatable Bond Count	26
Exact Mass	1314.4331520
Monoisotopic Mass	1314.4331520
Topological Polar Surface Area	672 Å²
Heavy Atom Count	89
Formal Charge	0
Complexity	2120
Isotope Atom Count	0
Defined Atom Stereocenter Count	39
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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Catalog	Name
GTR19218098-01	Cellooctaose

Cellooctaose

Chemical Information

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