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D-Mannoheptulose

CAT: 0572-TRC-M165100-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M165100-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3615-44-9
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H](O)[C@@H]1O
Molecular Formula
C7 H14 O7
Molecular Weight
210.18
InChI
InChI=1S/C7H14O7/c8-1-3-4(10)5(11)6(12)7(13,2-9)14-3/h3-6,8-13H,1-2H2/t3-,4-,5+,6+,7?/m1/s1
Additionnal Information
IUPAC name: (3S,4S,5S,6R)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

D-manno-2-heptulose

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

CAS Number3615-44-9
PubChem CID102926
IUPAC Name1,3,4,5,6,7-hexahydroxyheptan-2-one
Molecular FormulaC7H14O7
Molecular Weight210.18
XLogP-3.9
Topological Polar Surface Area138
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count14
Formal Charge0
Complexity183
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
2D structure of D-manno-2-heptulose
CAS: 3615-44-9
CID: 102926
Formula: C7H14O7
MW: 210.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight210.18
XLogP3-3.9
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass210.07395278
Monoisotopic Mass210.07395278
Topological Polar Surface Area138 Ų
Heavy Atom Count14
Formal Charge0
Complexity183
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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