Octyl D-glucuronic acid

CAT: 0926-MO07929-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-MO07929-01Size:250 mg

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CAS Number

208400-78-6

MDL Number

MFCD18643098

Smiles

CCCCCCCCOC1[C@@H] ([C@H] ([C@@H] ([C@H] (O1) C (=O) O) O) O) O

Molecular Formula

C14H26O7

Molecular Weight

306.36 g/mol

Controlled

Chemical Information

(2S,3S,4S,5R)-3,4,5-trihydroxy-6-octoxyoxane-2-carboxylic acid

CAS Number	208400-78-6
PubChem CID	74889299
IUPAC Name	(2S,3S,4S,5R)-3,4,5-trihydroxy-6-octoxyoxane-2-carboxylic acid
Molecular Formula	C14H26O7
Molecular Weight	306.35
XLogP	1.6
Topological Polar Surface Area	116
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	9
Heavy Atom Count	21
Formal Charge	0
Complexity	310

SMILES

CCCCCCCCOC1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O

InChI

InChI=1S/C14H26O7/c1-2-3-4-5-6-7-8-20-14-11(17)9(15)10(16)12(21-14)13(18)19/h9-12,14-17H,2-8H2,1H3,(H,18,19)/t9-,10-,11+,12-,14?/m0/s1

InChIKey

SYLNWYZPTDDGMH-ZAOAHOKWSA-N

Chemical Structure

2D Structure

CAS: 208400-78-6

CID: 74889299

Formula: C14H26O7

MW: 306.35

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	306.35
XLogP3	1.6
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	9
Exact Mass	306.16785316
Monoisotopic Mass	306.16785316
Topological Polar Surface Area	116 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	310
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
MO07928-01	Octyl b-D-glucuronic acid
MG04046-01	D-Glucuronic acid
G-3600-01	D-Glucuronic acid, free acid
HPA98114-01	1-Azido-β-D-glucuronic acid
MG29196-01	A-D-Glucuronic acid-1-phosphate
MG16795-01	D-Glucuronic acid methyl ester
N-2050-01	Naphthol AS-BI-beta-D-glucuronic acid
MP04835-01	Phenyl-beta-D-glucuronic acid monohydrate
MG168307-01	D-Glucuronic acid 3-phenylpropyl ester
G-3620-01	D-Glucuronic acid, sodium salt monohydrate