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CAS 2508-81-8 (3aS,5R,6R,6aR)-6-Hydroxy-5-(hydroxymethyl)tetrahydrofuro[2,3-d]oxazol-2(5H)-one molecular structure lightbox
CAS RN: 2508-81-8

(3aS,5R,6R,6aR)-6-Hydroxy-5-(hydroxymethyl)tetrahydrofuro[2,3-d]oxazol-2(5H)-one

  • Product code: SSC-120620
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2508-81-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 2 In Stock Shanghai Inquiry
0.25g ≥95% 2 In Stock Hong Kong Inquiry
1g ≥95% 2 In Stock Shanghai Inquiry

2508-81-8 / 6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-3H-furo[2,3-d][1,3]oxazol-2-one

Standard CAS: 2508-81-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2508-81-8
Multi CAS
No
Molecular Formula
C6H9NO5
Molecular Weight
175.140000
Exact Mass
175.048072
SMILES
C(C1C(C2C(O1)NC(=O)O2)O)O
InChI
InChI=1S/C6H9NO5/c8-1-2-3(9)4-5(11-2)7-6(10)12-4/h2-5,8-9H,1H2,(H,7,10)
InChIKey
JHLJBMKXTOOGCW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
3
Molar refractivity
35.16
TPSA
88.02

LogP / Solubility

WLOGP
-1.83
MLOGP
-1.61
XLogP3
-1.1
Consensus LogP
-1.51
Log S (ESOL)
0.29
Class (ESOL)
Highly soluble
Log S (Ali)
0.32
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.6
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)
-5.09

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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