[email protected]
CAS 1103738-17-5 (3AS,5R,6S,6aS)-6-hydroxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxole-5-carboxylic acid molecular structure lightbox
CAS RN: 1103738-17-5

(3AS,5R,6S,6aS)-6-hydroxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxole-5-carboxylic acid

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250604 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: LINA898514
GET A QUOTE

1103738-17-5 / (3aS,5R,6S,6aS)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carboxylic acid

(3aS,5R,6S,6aS)-6-hydroxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxole-5-carboxylic acid | (3aS,5R,6S,6aS)-6-hydroxy-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxole-5-carboxylic acid | MFCD16877045

Standard CAS: 1103738-17-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1103738-17-5
Multi CAS
Yes
Molecular Formula
C8H12O6
Molecular Weight
204.180000
Exact Mass
204.063388
SMILES
CC1(O[C@H]2[C@@H]([C@@H](O[C@H]2O1)C(=O)O)O)C
InChI
InChI=1S/C8H12O6/c1-8(2)13-5-3(9)4(6(10)11)12-7(5)14-8/h3-5,7,9H,1-2H3,(H,10,11)/t3-,4-,5+,7+/m1/s1
InChIKey
YQQLEMAYGCQRAW-CXXDYQFHSA-N
Synonyms
(3aS,5R,6S,6aS)-6-hydroxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxole-5-carboxylic acid (3aS,5R,6S,6aS)-6-hydroxy-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxole-5-carboxylic acid MFCD16877045 (3aS,5R,6S,6aS)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carboxylic acid 1,2-O-Isopropylidene-a-D-xylofuranuronic acid

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
42.34
TPSA
85.22

LogP / Solubility

WLOGP
-0.69
MLOGP
-0.61
XLogP3
-0.2
Consensus LogP
-0.5
Log S (ESOL)
-0.6
Class (ESOL)
Very soluble
Log S (Ali)
-0.73
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.53
Class (SILICOS-IT)
Very 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)
-4.46

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us