Agarotriose

CAT: 0926-OA44597-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-OA44597-02Size:5 mg

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

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CAS Number

155015-96-6

Smiles

OC[C@H]1O[C@@H] (OC2[C@@H]3CO[C@H]2[C@H] (O) [C@H] (O[C@@H]4[C@@H] (O) [C@H] (O) O[C@H] (CO) [C@@H]4O) O3) [C@H] (O) [C@@H] (O) [C@H]1O

Molecular Formula

C18H30O15

Molecular Weight

486.42 g/mol

Controlled

Chemical Information

(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-4-[[(1S,3S,4S,5S)-4-hydroxy-8-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]oxane-2,3,5-triol

CAS Number	155015-96-6
PubChem CID	172642584
IUPAC Name	(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-4-[[(1S,3S,4S,5S)-4-hydroxy-8-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]oxane-2,3,5-triol
Molecular Formula	C18H30O15
Molecular Weight	486.4
XLogP	-5.3
Topological Polar Surface Area	237
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	6
Heavy Atom Count	33
Formal Charge	0
Complexity	654

SMILES

C1[C@H]2C([C@@H](O1)[C@@H]([C@@H](O2)O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)O)CO)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O

InChI

InChI=1S/C18H30O15/c19-1-4-7(21)9(23)10(24)17(30-4)32-13-6-3-28-15(13)12(26)18(31-6)33-14-8(22)5(2-20)29-16(27)11(14)25/h4-27H,1-3H2/t4-,5-,6+,7+,8+,9+,10-,11-,12+,13?,14+,15+,16-,17+,18+/m1/s1

InChIKey

VPMAFOPPEUEPNR-SXVDRWFBSA-N

Chemical Structure

2D Structure

CAS: 155015-96-6

CID: 172642584

Formula: C18H30O15

MW: 486.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	486.4
XLogP3	-5.3
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	6
Exact Mass	486.15847025
Monoisotopic Mass	486.15847025
Topological Polar Surface Area	237 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	654
Isotope Atom Count	0
Defined Atom Stereocenter Count	14
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
296683-01	Agarotriose

Agarotriose

Chemical Information

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