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CAS 19467-01-7 (2S,3R,4S,5S,6R)-2-ETHOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,4,5-TRIOL molecular structure lightbox
CAS RN: 19467-01-7

(2S,3R,4S,5S,6R)-2-ETHOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,4,5-TRIOL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260415 25mg / 100mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS19467-01-7
  • Purity/Analytical Methods: >99.0%
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19467-01-7 / (2S,3R,4S,5S,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol

Standard CAS: 19467-01-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19467-01-7
Multi CAS
No
Molecular Formula
C8H16O6
Molecular Weight
208.210000
Exact Mass
208.094688
SMILES
CCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C8H16O6/c1-2-13-8-7(12)6(11)5(10)4(3-9)14-8/h4-12H,2-3H2,1H3/t4-,5-,6+,7-,8+/m1/s1
InChIKey
WYUFTYLVLQZQNH-CBQIKETKSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
4
Molar refractivity
45.39
TPSA
99.38

LogP / Solubility

WLOGP
-2.18
MLOGP
-1.91
XLogP3
-1.8
Consensus LogP
-1.96
Log S (ESOL)
0.44
Class (ESOL)
Highly soluble
Log S (Ali)
0.3
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.43
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)
-5.54

Drug-likeness / Medicinal Chemistry

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

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