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CAS 33471-33-9 1L-epi-2-Inosose molecular structure lightbox
CAS RN: 33471-33-9

1L-epi-2-Inosose

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260122 200mg Out of stock Inquiry
Batchno.20250501 50mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250312 50mg In stock Shanghai Inquiry
  • Product code: ICTI0634
  • Purity/Analytical Methods: >98.0%(HPLC)
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33471-33-9 / 2,3,4,5,6-pentahydroxycyclohexan-1-one

Standard CAS: 33471-33-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
33471-33-9
Multi CAS
Yes
Molecular Formula
C6H10O6
Molecular Weight
178.140000
Exact Mass
178.047738
InChI
InChI=1S/C6H10O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-5,7-11H
InChIKey
VYEGBDHSGHXOGT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.83
H-bond acceptors
6
H-bond donors
5
Molar refractivity
35.04
TPSA
118.22

LogP / Solubility

WLOGP
-3.63
MLOGP
-3.19
XLogP3
-3.3
Consensus LogP
-3.37
Log S (ESOL)
1.34
Class (ESOL)
Highly soluble
Log S (Ali)
1.6
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.19
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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