Perseitol

CAT: 0926-MP05384-05Size: 2 gDry Ice: NoHazardous: No

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CAT#:0926-MP05384-05Size:2 g

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CAS Number

527-06-0

Synonyms

D-Glycero-D-galacto-heptitol

MDL Number

MFCD00152155

Smiles

C ([C@H] ([C@H] (C ([C@@H] ([C@H] (CO) O) O) O) O) O) O

Molecular Formula

C7H16O7

Molecular Weight

212.2 g/mol

Controlled

Chemical Information

Perseitol

Perseitol is a heptitol that is heptane-1,2,3,4,5,6,7-heptol that has R-configuration at positions 2, 3, 4 and 5, and S-configuration at position 6.

CAS Number	527-06-0
PubChem CID	441436
IUPAC Name	(2S,3R,5R,6R)-heptane-1,2,3,4,5,6,7-heptol
Molecular Formula	C7H16O7
Molecular Weight	212.20
XLogP	-3.7
Topological Polar Surface Area	142
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	14
Formal Charge	0
Complexity	137

SMILES

C([C@H]([C@H](C([C@@H]([C@H](CO)O)O)O)O)O)O

InChI

InChI=1S/C7H16O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3-14H,1-2H2/t3-,4+,5-,6-,7?/m1/s1

InChIKey

OXQKEKGBFMQTML-RYRJNEICSA-N

Chemical Structure

2D Structure

CAS: 527-06-0

CID: 441436

Formula: C7H16O7

MW: 212.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	212.20
XLogP3	-3.7
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	212.08960285
Monoisotopic Mass	212.08960285
Topological Polar Surface Area	142 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	137
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
GTR19165630-01	Perseitol
HY-N10374R	Perseitol (Standard)