D-Mannoheptulose

CAT: 0024-sc-221499ASize: 25 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-221499ASize:25 mg

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CAS Number

3615-44-9

Chemical Information

D-manno-2-heptulose

1,3,4,5,6,7-hexahydroxyheptan-2-one is a heptose.

CAS Number	3615-44-9
PubChem CID	102926
IUPAC Name	1,3,4,5,6,7-hexahydroxyheptan-2-one
Molecular Formula	C7H14O7
Molecular Weight	210.18
XLogP	-3.9
Topological Polar Surface Area	138
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	14
Formal Charge	0
Complexity	183

SMILES

C(C(C(C(C(C(=O)CO)O)O)O)O)O

InChI

InChI=1S/C7H14O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3,5-10,12-14H,1-2H2

InChIKey

HSNZZMHEPUFJNZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3615-44-9

CID: 102926

Formula: C7H14O7

MW: 210.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	210.18
XLogP3	-3.9
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	210.07395278
Monoisotopic Mass	210.07395278
Topological Polar Surface Area	138 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	183
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
GC6042-5mg	D-Mannoheptulose
015808	D-Mannoheptulose-13C7
HY-U00462S-01	D-Mannoheptulose-13C
293993-01	D-Mannoheptulose discontinued. See 015807
012294	1-Fluoro D-Mannoheptulose (α, β-Mixture)
MBS6070901-01	1-Fluoro D-Mannoheptulose (alpha,beta-Mixture)
GWB-A59262	D-D-D-D-D-D