Madecassoside

CAT: 0127-BUP20615-05Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP20615-05Size:200 mg

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CAS Number

83705-13-9

Synonyms

Asiaticoside A

Purity

=98%

Smiles

O[C@H]1[C@@H](O[C@H](CO)[C@H]1O)C2=NC(C(N)=O)=C[Se]2

Chemical Information

2-beta-D-ribofuranosyl-4-selenazolecarboxamide

selenazole analog of tiazofurin

CAS Number	83705-13-9
PubChem CID	100665
IUPAC Name	2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-selenazole-4-carboxamide
Molecular Formula	C9H12N2O5Se
Molecular Weight	307.17
Topological Polar Surface Area	126
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	305

SMILES

C1=C(N=C([Se]1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N

InChI

InChI=1S/C9H12N2O5Se/c10-8(15)3-2-17-9(11-3)7-6(14)5(13)4(1-12)16-7/h2,4-7,12-14H,1H2,(H2,10,15)/t4-,5-,6-,7-/m1/s1

InChIKey

CKMBACZHCFMPLQ-DBRKOABJSA-N

Chemical Structure

2D Structure

CAS: 83705-13-9

CID: 100665

Formula: C9H12N2O5Se

MW: 307.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	307.17
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	307.99114
Monoisotopic Mass	307.99114
Topological Polar Surface Area	126 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	305
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
454118-01	Madecassoside