N-Hexanoyl-D-glucosamine

CAT: 0926-MH07025-01Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0926-MH07025-01Size:500 mg

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CAS Number

19817-88-0

MDL Number

MFCD00059806

Smiles

CCCCCC (=O) N[C@@H] (C=O) [C@H] ([C@@H] ([C@@H] (CO) O) O) O

Molecular Formula

C12H23NO6

Molecular Weight

277.31 g/mol

Controlled

Chemical Information

N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]hexanamide

CAS Number	19817-88-0
PubChem CID	22896151
IUPAC Name	N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]hexanamide
Molecular Formula	C12H23NO6
Molecular Weight	277.31
XLogP	-1.5
Topological Polar Surface Area	127
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	10
Heavy Atom Count	19
Formal Charge	0
Complexity	273

SMILES

CCCCCC(=O)N[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O

InChI

InChI=1S/C12H23NO6/c1-2-3-4-5-10(17)13-8(6-14)11(18)12(19)9(16)7-15/h6,8-9,11-12,15-16,18-19H,2-5,7H2,1H3,(H,13,17)/t8-,9+,11+,12+/m0/s1

InChIKey

QLZZYPWIRVQENX-LUTQBAROSA-N

Chemical Structure

2D Structure

CAS: 19817-88-0

CID: 22896151

Formula: C12H23NO6

MW: 277.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	277.31
XLogP3	-1.5
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	10
Exact Mass	277.15253745
Monoisotopic Mass	277.15253745
Topological Polar Surface Area	127 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	273
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
MA00834-01	N-Acetyl-D-glucosamine
MP07030-01	N-Propionyl-D-glucosamine
MM66747-01	N-Methyl-D-glucosamine
MA45477-01	N-Acetyl-α-D-glucosamine
FA184215-01	N-Acetyl-β-D-glucosamine
MV07029-01	N-Valeryl-D-glucosamine
MC06896-01	N-Cbz-D-glucosamine
MB03953-01	N-Benzoyl-D-glucosamine
MD153444-01	N, N-Dimethyl-D-glucosamine
FF78792-01	N- (2-Fluoroacetyl) -D-glucosamine

Catalog	Name
293647-01	N-Hexanoyl-D-glucosamine
MBS393537-01	N-Hexanoyl-D-Sphingosine
AR-S10728-01	N-Hexanoyl-D-erythro-Sphingosine
AR-S10729-01	N-Hexanoyl-D-threo-Sphingosine
HY-A0132-01	N-Acetyl-D-glucosamine
TSW-00064-01	N-Acetyl-α-D-glucosamine
HY-W145611	N-Valeryl-D-glucosamine
HY-W145613-01	N-Benzoyl-D-glucosamine
458341-01	N-Boc-D-glucosamine
292647-01	N-Acetyl-a-D-glucosamine