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CAS 114861-22-2 1,2-O-Isopropylidene-a-L-xylofuranose molecular structure lightbox
CAS RN: 114861-22-2

1,2-O-Isopropylidene-a-L-xylofuranose

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250306 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Chongqing 5-7 business days Inquiry
  • Product code: SSC-014577
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 114861-22-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

114861-22-2 / (3aS,5S,6R,6aS)-5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol

1,2-O-Isopropylidene-b-L-lyxofuranose | 5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol | 1,2-O-Isopropylidene-D-ribofuranose

Standard CAS: 114861-22-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
114861-22-2
Multi CAS
Yes
Molecular Formula
C8H14O5
Molecular Weight
190.190000
Exact Mass
190.084124
SMILES
CC1(O[C@H]2[C@@H]([C@@H](O[C@H]2O1)CO)O)C
InChI
InChI=1S/C8H14O5/c1-8(2)12-6-5(10)4(3-9)11-7(6)13-8/h4-7,9-10H,3H2,1-2H3/t4-,5+,6-,7-/m0/s1
InChIKey
JAUQZVBVVJJRKM-VZFHVOOUSA-N
Synonyms
1,2-O-Isopropylidene-b-L-lyxofuranose 5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol 1,2-O-Isopropylidene-D-ribofuranose 1,2-O-Isopropylidene-|A-D-xylofuranose NSC116357

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
41.79
TPSA
68.15

LogP / Solubility

WLOGP
-0.78
MLOGP
-0.69
XLogP3
-0.4
Consensus LogP
-0.62
Log S (ESOL)
-0.46
Class (ESOL)
Very soluble
Log S (Ali)
-0.55
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.37
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)
-4.44

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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