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CAS 136345-68-1 D-Gulono-1,4-lactone 2,3,5,6-Tetraacetate molecular structure lightbox
CAS RN: 136345-68-1

D-Gulono-1,4-lactone 2,3,5,6-Tetraacetate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250709 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS136345-68-1
  • Purity/Analytical Methods: >99.0%
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136345-68-1 / [(2R)-2-acetyloxy-2-[(2S,3R,4R)-3,4-diacetyloxy-5-oxooxolan-2-yl]ethyl] acetate

Standard CAS: 136345-68-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
136345-68-1
Multi CAS
No
Molecular Formula
C14H18O10
Molecular Weight
346.290000
Exact Mass
346.089997
SMILES
CC(=O)OC[C@H]([C@H]1[C@H]([C@H](C(=O)O1)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C14H18O10/c1-6(15)20-5-10(21-7(2)16)11-12(22-8(3)17)13(14(19)24-11)23-9(4)18/h10-13H,5H2,1-4H3/t10-,11+,12-,13-/m1/s1
InChIKey
DDWMFFZVZXMXCS-YVECIDJPSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.64
Rotatable bonds
6
H-bond acceptors
10
Molar refractivity
73.18
TPSA
131.5

LogP / Solubility

WLOGP
-0.73
MLOGP
-0.62
XLogP3
-0.3
Consensus LogP
-0.55
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
Class (SILICOS-IT)
Moderately 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)
-5.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4.5

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