6-O-(N-Heptylcarbamoyl)methylglucoside

Catalog Number	ACM115457835-1
CAS	115457-83-5
Structure
Synonyms	Methyl-6-O-(N-heptylcarbamoyl)-alpha-D-glucopyranoside
IUPAC Name	[(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-methoxyoxan-2-yl]methyl N-heptylcarbamate
Molecular Weight	335.39
Molecular Formula	C15H29NO7
Canonical SMILES	CCCCCCCNC(=O)OCC1C(C(C(C(O1)OC)O)O)O
InChI	InChI=1S/C15H29NO7/c1-3-4-5-6-7-8-16-15(20)22-9-10-11(17)12(18)13(19)14(21-2)23-10/h10-14,17-19H,3-9H2,1-2H3,(H,16,20)/t10-,11-,12+,13-,14+/m1/s1
InChI Key	XPIVOYOQXKNYHA-RGDJUOJXSA-N
Melting Point	103-105 °C
Purity	98%+
Complexity	342
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Exact Mass	335.19440226
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	4
Isomeric SMILES	CCCCCCCNC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC)O)O)O
Monoisotopic Mass	335.19440226
Physical State	Powder
Rotatable Bond Count	10
Topological Polar Surface Area	118 Ų

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6-O-(N-Heptylcarbamoyl)methylglucoside (115457-83-5)

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