Theanderose

CAT: 1596-AR-S10911-03Size: 50 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-S10911-03Size:50 Units

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

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CAS Number

21291-36-1

Molecular Formula

C18H32O16

Molecular Weight

504.44

API Name

Sucrose

Chemical Information

Isomaltosylfructoside

CAS Number	21291-36-1
PubChem CID	3082189
IUPAC Name	(2S,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-6-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
Molecular Formula	C18H32O16
Molecular Weight	504.4
XLogP	-6.1
Topological Polar Surface Area	280
Hydrogen Bond Donor Count	12
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	7
Heavy Atom Count	34
Formal Charge	0
Complexity	684

SMILES

C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@]2([C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[C@@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)O)O

InChI

InChI=1S/C18H32O16/c19-1-5-8(23)11(26)13(28)16(31-5)34-18(15(30)12(27)9(24)6(2-20)33-18)17(4-22)14(29)10(25)7(3-21)32-17/h5-16,19-30H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14+,15-,16-,17+,18+/m1/s1

InChIKey

UWESPNLLJKPBBH-JJNZJHQXSA-N

Chemical Structure

2D Structure

CAS: 21291-36-1

CID: 3082189

Formula: C18H32O16

MW: 504.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	504.4
XLogP3	-6.1
Hydrogen Bond Donor Count	12
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	7
Exact Mass	504.16903493
Monoisotopic Mass	504.16903493
Topological Polar Surface Area	280 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	684
Isotope Atom Count	0
Defined Atom Stereocenter Count	14
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
TRC-T340520-50MG	Theanderose

Theanderose

Chemical Information

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