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CAS 3868-03-9 1,6:2,3-Dianhydro-β-D-mannopyranose molecular structure lightbox
CAS RN: 3868-03-9

1,6:2,3-Dianhydro-β-D-mannopyranose

  • Product code: SSC-146301
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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, 5g, 25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 3868-03-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Hong Kong Inquiry
0.25g >97% 5 In Stock Hong Kong Inquiry
1g >97% 5 In Stock Hong Kong Inquiry
5g >97% 5 In Stock Beijing Inquiry
25g >97% 5 In Stock Shenzhen Inquiry
100g >97% 5 In Stock Beijing Inquiry

3868-03-9 / 3,8,9-trioxatricyclo[4.2.1.02,4]nonan-5-ol

Standard CAS: 3868-03-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3868-03-9
Multi CAS
Yes
Molecular Formula
C6H8O4
Molecular Weight
144.120000
Exact Mass
144.042259
InChI
InChI=1S/C6H8O4/c7-3-2-1-8-6(9-2)5-4(3)10-5/h2-7H,1H2
InChIKey
RXDFVNWKKAAOSK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
29.28
TPSA
51.22

LogP / Solubility

WLOGP
-1.13
MLOGP
-1
XLogP3
-1.2
Consensus LogP
-1.11
Log S (ESOL)
-0.02
Class (ESOL)
Very soluble
Log S (Ali)
0.07
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.34
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)
-4.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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