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CAS 849725-39-9 Inosine-5′-monophosphate Disodium Salt heptahydrate molecular structure lightbox
CAS RN: 849725-39-9

Inosine-5′-monophosphate Disodium Salt heptahydrate

  • Product code: SSC-192741
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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: 100g
  • Available purity: ＞97%
  • 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 849725-39-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Shanghai Inquiry

849725-39-9 / disodium;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl phosphate;heptahydrate

Standard CAS: 849725-39-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
849725-39-9
Multi CAS
Yes
Molecular Formula
C10H25N4NA2O15P
Molecular Weight
518.280000
Exact Mass
518.084942
InChI
InChI=1S/C10H13N4O8P.2Na.7H2O/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;;;;;;;;;/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20);;;7*1H2/q;2*+1;;;;;;;/p-2/t4-,6-,7-,10-;;;;;;;;;/m1........./s1
InChIKey
ZEALAQXNWUYYQU-HCPZZMJLSA-L

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
11
H-bond donors
3
Molar refractivity
92.93
TPSA
406.18

LogP / Solubility

WLOGP
-15.18
MLOGP
-13.32
XLogP3
-15.18
Consensus LogP
-14.56
Log S (ESOL)
6.57
Class (ESOL)
Highly soluble
Log S (Ali)
7.15
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
9.09
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-16.66

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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