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CAS 18530-81-9 .ALPHA.-D-GLUCOFURANOSE, 3-DEOXY-3-FLUORO-1,2-O-(1-METHYLETHYLIDENE)- molecular structure lightbox
CAS RN: 18530-81-9

.ALPHA.-D-GLUCOFURANOSE, 3-DEOXY-3-FLUORO-1,2-O-(1-METHYLETHYLIDENE)-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251109 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS18530-81-9
  • Purity/Analytical Methods: >99.0%
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18530-81-9 / (1R)-1-[(3aR,5R,6S,6aS)-6-fluoro-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol

Standard CAS: 18530-81-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18530-81-9
Multi CAS
No
Molecular Formula
C9H15FO5
Molecular Weight
222.210000
Exact Mass
222.090352
SMILES
CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)[C@@H](CO)O)F)C
InChI
InChI=1S/C9H15FO5/c1-9(2)14-7-5(10)6(4(12)3-11)13-8(7)15-9/h4-8,11-12H,3H2,1-2H3/t4-,5+,6-,7-,8-/m1/s1
InChIKey
QFTYRVBAYCTBOA-OZRXBMAMSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
46.69
TPSA
68.15

LogP / Solubility

WLOGP
-0.45
MLOGP
-0.39
XLogP3
-0.5
Consensus LogP
-0.45
Log S (ESOL)
-0.8
Class (ESOL)
Very soluble
Log S (Ali)
-1.06
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.97
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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