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CAS 132202-29-0 D-MANNITOL-1-13C molecular structure lightbox
CAS RN: 132202-29-0

D-MANNITOL-1-13C

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5 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250829 100mg Out of stock Inquiry
Batchno.20250512 10mg Out of stock Inquiry
Batchno.20260504 25mg Out of stock Inquiry
Batchno.20251119 50mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250617 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS132202-29-0
  • Purity/Analytical Methods: >99.0%
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132202-29-0 / (2R,3R,4R,5R)-(113C)hexane-1,2,3,4,5,6-hexol

Standard CAS: 132202-29-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
132202-29-0
Multi CAS
No
Molecular Formula
C6H14O6
Molecular Weight
183.160000
Exact Mass
183.082393
SMILES
C([C@H]([C@H]([C@@H]([C@@H]([13CH2]O)O)O)O)O)O
InChI
InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1/i1+1
InChIKey
FBPFZTCFMRRESA-CCCNNFAYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
6
Molar refractivity
38.2
TPSA
121.38

LogP / Solubility

WLOGP
-3.59
MLOGP
-3.16
XLogP3
-3.1
Consensus LogP
-3.28
Log S (ESOL)
1.62
Class (ESOL)
Highly soluble
Log S (Ali)
1.53
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.53
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)
-6.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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