D-Fructose-13C6

CAT: 0926-MF29793-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-MF29793-01Size:100 mg

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CAS Number

201595-65-5

Smiles

[13CH2]1[13C@H] ([13C@H] ([13C@@H] ([13C] (O1) ([13C]O) O) O) O) O

Molecular Formula

13C6H12O6

Molecular Weight

186.11 g/mol

Controlled

Chemical Information

D-Fructose-13C6

CAS Number	201595-65-5
PubChem CID	71310259
IUPAC Name	(3S,4R,5R)-1,3,4,5,6-pentahydroxy(1,2,3,4,5,6-13C6)hexan-2-one
Molecular Formula	C6H12O6
Molecular Weight	186.11
XLogP	-3.2
Topological Polar Surface Area	118
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	12
Formal Charge	0
Complexity	147

SMILES

[13CH2]([13C@H]([13C@H]([13C@@H]([13C](=O)[13CH2]O)O)O)O)O

InChI

InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6-/m1/s1/i1+1,2+1,3+1,4+1,5+1,6+1

InChIKey

BJHIKXHVCXFQLS-HJLYHLTLSA-N

Chemical Structure

2D Structure

CAS: 201595-65-5

CID: 71310259

Formula: C6H12O6

MW: 186.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.11
XLogP3	-3.2
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	186.08351711
Monoisotopic Mass	186.08351711
Topological Polar Surface Area	118 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	147
Isotope Atom Count	6
Defined Atom Stereocenter Count	3
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
MD14754-01	3-Deoxy-D-[UL-13C6]fructose
MF31452-01	D-Fructose-13C1
MF167754-01	D-[UL-13C6]Fructose 6-phosphate disodium salt hydrate
MF00781-01	D-Fructose
ZJA92859-01	D-Fructose-3-13C
MG08493-01	D-Glucose-13C6
HXB25266	D-Lysine-13C6
MF171832-01	D-[4,5,6]-Fructose-13C3
MLA10074-01	D-[UL-13C6]mannose
BIA41701-01	D-Glucose-13C6, d7

Catalog	Name
CS-T-55092	D-Fructose 13C6
T35618-01	D-Fructose-13C6
HY-W754216	Diacetone-β-D-fructose-13C6
HY-N7092S13-01	D-Fructose-13C6, d7
HY-150706S	D-fructose-6-phosphate-13C6
TRC-D235917-50MG	3-Deoxy-D-fructose-13C6
HY-W585933S	Fructose-alanine-13C6
HY-W585934S	Fructose-phenylalanine-13C6
HY-N10004S	Fructose-proline-13C6
HY-113407CS	D-Fructose-6-phosphate (disodium monohydrate) -13C6