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CAS 201595-65-5 D-[UL-13C6]FRUCTOSE molecular structure lightbox
CAS RN: 201595-65-5

D-[UL-13C6]FRUCTOSE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250801 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS201595-65-5
  • Purity/Analytical Methods: >99.0%
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201595-65-5 / (3S,4R,5R)-1,3,4,5,6-pentahydroxy(1,2,3,4,5,6-13C6)hexan-2-one

Standard CAS: 201595-65-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
201595-65-5
Multi CAS
No
Molecular Formula
C6H12O6
Molecular Weight
186.110000
Exact Mass
186.083517
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

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.83
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
5
Molar refractivity
37.2
TPSA
118.22

LogP / Solubility

WLOGP
-3.38
MLOGP
-2.97
XLogP3
-3.2
Consensus LogP
-3.18
Log S (ESOL)
1.5
Class (ESOL)
Highly soluble
Log S (Ali)
1.4
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.37
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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