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Maltooctaose

CAT: 0926-OM06941-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-OM06941-02Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
66567-45-1
MDL Number
MFCD05865015
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
1,315.16 g/mol
Controlled
No

Chemical Information

Glc(a1-4)Glc(a1-4)Glc(a1-4)Glc(a1-4)Glc(a1-4)Glc(a1-4)Glc(a1-4)aldehydo-Glc
CAS Number66567-45-1
PubChem CID162642288
IUPAC Name(2R,3R,4R,5R)-4-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,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 FormulaC48H82O41
Molecular Weight1315.1
XLogP-17.9
Topological Polar Surface Area672
Hydrogen Bond Donor Count26
Hydrogen Bond Acceptor Count41
Rotatable Bond Count26
Heavy Atom Count89
Formal Charge0
Complexity2120
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-FYTGRNAJSA-N
Chemical Structure
2D Structure
2D structure of Glc(a1-4)Glc(a1-4)Glc(a1-4)Glc(a1-4)Glc(a1-4)Glc(a1-4)Glc(a1-4)aldehydo-Glc
CAS: 66567-45-1
CID: 162642288
Formula: C48H82O41
MW: 1315.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1315.1
XLogP3-17.9
Hydrogen Bond Donor Count26
Hydrogen Bond Acceptor Count41
Rotatable Bond Count26
Exact Mass1314.4331520
Monoisotopic Mass1314.4331520
Topological Polar Surface Area672 Ų
Heavy Atom Count89
Formal Charge0
Complexity2120
Isotope Atom Count0
Defined Atom Stereocenter Count39
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TBW01784Maltooctaose
297436-01Maltooctaose hexacosaacetate
M38716Maltooctaose b
BICY1057-01Peracetyl maltooctaose, anomeric mixture

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