Crenulatin

CAT: 0926-NCA02602-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-NCA02602-01Size:25 mg

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CAS Number

63026-02-8

Smiles

CC (C) (C=C) OC1C (C (C (C (O1) CO) O) O) O

Molecular Formula

C11H20O6

Molecular Weight

248.27 g/mol

Controlled

Chemical Information

(2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(2-Methylbut-3-En-2-Yloxy)Oxane-3,4,5-Triol

Crenulatin is a glycoside.

CAS Number	63026-02-8
PubChem CID	5316128
IUPAC Name	(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(2-methylbut-3-en-2-yloxy)oxane-3,4,5-triol
Molecular Formula	C11H20O6
Molecular Weight	248.27
XLogP	-1
Topological Polar Surface Area	99.4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	17
Formal Charge	0
Complexity	267

SMILES

CC(C)(C=C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

InChI

InChI=1S/C11H20O6/c1-4-11(2,3)17-10-9(15)8(14)7(13)6(5-12)16-10/h4,6-10,12-15H,1,5H2,2-3H3/t6-,7-,8+,9-,10+/m1/s1

InChIKey

ZEGGZNOPAPRAIG-SPFKKGSWSA-N

Chemical Structure

2D Structure

CAS: 63026-02-8

CID: 5316128

Formula: C11H20O6

MW: 248.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	248.27
XLogP3	-1
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	248.12598835
Monoisotopic Mass	248.12598835
Topological Polar Surface Area	99.4 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	267
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
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
HY-N7930-01	Crenulatin