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CAS 32785-93-6 1-Chloro-1-deoxy-D-fructose molecular structure lightbox
CAS RN: 32785-93-6

1-Chloro-1-deoxy-D-fructose

  • Product code: SSC-138474
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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: 1g
  • 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 32785-93-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

32785-93-6 / (2S,3S,4S,5R)-2-(chloromethyl)-5-(hydroxymethyl)oxolane-2,3,4-triol

Standard CAS: 32785-93-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
32785-93-6
Multi CAS
Yes
Molecular Formula
C6H11CLO5
Molecular Weight
198.600000
Exact Mass
198.029501
InChI
InChI=1S/C6H11ClO5/c7-1-3(9)5(11)6(12)4(10)2-8/h4-6,8,10-12H,1-2H2/t4-,5-,6-/m1/s1
InChIKey
VBGLFNMWEMGFTR-HSUXUTPPSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
4
Molar refractivity
39.64
TPSA
90.15

LogP / Solubility

WLOGP
-1.97
MLOGP
-1.74
XLogP3
-1.6
Consensus LogP
-1.77
Log S (ESOL)
0.3
Class (ESOL)
Highly soluble
Log S (Ali)
0.24
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.45
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)
-5.33

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
3.5

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