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CAS 18991-62-3 D-GLUCOSE-6,6-D2 molecular structure lightbox
CAS RN: 18991-62-3

D-GLUCOSE-6,6-D2

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3 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250325 1g Out of stock Inquiry
Batchno.20260630 250mg In stock Inquiry
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Batchno.20251226 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS18991-62-3
  • Purity/Analytical Methods: >99.0%
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18991-62-3 / (3R,4S,5S,6R)-6-[dideuterio(hydroxy)methyl]oxane-2,3,4,5-tetrol

Standard CAS: 18991-62-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18991-62-3
Multi CAS
No
Molecular Formula
C6H12O6
Molecular Weight
182.170000
Exact Mass
182.075942
SMILES
[2H]C([2H])([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)O
InChI
InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1/i1D2
InChIKey
WQZGKKKJIJFFOK-VARZTKRMSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
5
Molar refractivity
35.99
TPSA
110.38

LogP / Solubility

WLOGP
-3.22
MLOGP
-2.84
XLogP3
-2.6
Consensus LogP
-2.89
Log S (ESOL)
1.14
Class (ESOL)
Highly soluble
Log S (Ali)
1.29
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.72
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)
-6.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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