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CAS 58-97-9 UMP molecular structure lightbox
CAS RN: 58-97-9

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Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251217 100g In stock Shanghai, Shandong Inquiry
Batchno.20250111 1g In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
Batchno.20260625 25g In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20260519 5g In stock Shanghai, Shandong, Hebei Inquiry
  • Product code: SSC-166208
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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, 10g
  • Available purity: ≥98%
  • 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 58-97-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Shanghai Inquiry
10g ≥98% 0 Out of Stock Beijing Inquiry

58-97-9 / [5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

Standard CAS: 58-97-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
58-97-9
Multi CAS
Yes
Molecular Formula
C9H13N2O9P
Molecular Weight
324.180000
Exact Mass
324.035867
InChI
InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)
InChIKey
DJJCXFVJDGTHFX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
5
Molar refractivity
65.24
TPSA
171.31

LogP / Solubility

WLOGP
-2.73
MLOGP
-2.39
XLogP3
-3.6
Consensus LogP
-2.91
Log S (ESOL)
-0.07
Class (ESOL)
Very soluble
Log S (Ali)
-0.24
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.02
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)
-6.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4.5

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