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CAS 2922-69-2 (2,3,5-trihydroxy-4-oxo-pentoxy)phosphonic acid molecular structure lightbox
CAS RN: 2922-69-2

(2,3,5-trihydroxy-4-oxo-pentoxy)phosphonic acid

  • Product code: SSC-131707
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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: 0.1g, 0.25g
  • 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 2922-69-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

2922-69-2 / (2,3,5-trihydroxy-4-oxopentyl) dihydrogen phosphate

Standard CAS: 2922-69-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
2922-69-2
Multi CAS
Yes
Molecular Formula
C5H11O8P
Molecular Weight
230.110000
Exact Mass
230.019154
InChI
InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)
InChIKey
FNZLKVNUWIIPSJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.8
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
5
Molar refractivity
42.1
TPSA
144.52

LogP / Solubility

WLOGP
-2.62
MLOGP
-2.3
XLogP3
-3.7
Consensus LogP
-2.87
Log S (ESOL)
0.78
Class (ESOL)
Highly soluble
Log S (Ali)
0.45
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.3
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)
-5.98

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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