[email protected]
CAS 138079-87-5 D-GLUCOSE-1,2-13C2 molecular structure lightbox
CAS RN: 138079-87-5

D-GLUCOSE-1,2-13C2

Product Availability

Choose a grade to view its available package options.

4 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250222 100mg Out of stock Inquiry
Batchno.20260406 25mg In stock Inquiry
Batchno.20250708 5mg Out of stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260130 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS138079-87-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

138079-87-5 / (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy(1,2-13C2)hexanal

Standard CAS: 138079-87-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
138079-87-5
Multi CAS
No
Molecular Formula
C6H12O6
Molecular Weight
182.140000
Exact Mass
182.070098
SMILES
C([C@H]([C@H]([C@@H]([13C@H]([13CH]=O)O)O)O)O)O
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+1,3+1
InChIKey
GZCGUPFRVQAUEE-SZEFTZBMSA-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
37.18
TPSA
118.22

LogP / Solubility

WLOGP
-3.38
MLOGP
-2.98
XLogP3
-2.9
Consensus LogP
-3.09
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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

Customers Also Viewed

Get In Touch

Contact Us