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(2R,3S)-2,3,4,5,6-pentahydroxy(1,2,3,4,5,6-¹³C?,1,2,3,4,5,6,6-²H?)hexanal

(2R,3S)-2,3,4,5,6-pentahydroxy(1,2,3,4,5,6-¹³C?,1,2,3,4,5,6,6-²H?)hexanal

CAS: 201417-01-8

Formula: C6H12O6

SMILES: [2H][13C](=O)[13C@]([2H])(O)[13C@@]([2H])(O)[13C]([2H])(O)[13C]([2H])(O)[13C]([2H])([2H])O

IUPAC: (2R,3S)-2,3,4,5,6-pentahydroxy(1,2,3,4,5,6-¹³C?,1,2,3,4,5,6,6-²H?)hexanal

InChI: InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4?,5+,6?/m0/s1/i1+1D,2+1D2,3+1D,4+1D,5+1D,6+1D

Composition: [13C] (40.39%), H (2.61%), [2H] (7.30%), O (49.70%)

Molar Mass: 193.153

Atom Count: 24

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 4
Exact Mass 193.127454338
Formal Charge 0
FSP3 0.83
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 5
InChIKey GZCGUPFRVQAUEE-PPJMZSRHSA-N
Lipinski's Rule of Five 1
Molar Refractivity 37.35
Topological Polar Surface Area 118.22
Polarizability 15.25
Ring Count 0
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 201417-01-8 $156.06$156.06
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