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CAS 35170-03-7 3′-UMP NA molecular structure lightbox
CAS RN: 35170-03-7

3′-UMP NA

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250524 5mg / 25mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS35170-03-7
  • Purity/Analytical Methods: >99.0%
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35170-03-7 / [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] phosphate

Standard CAS: 35170-03-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
35170-03-7
Multi CAS
Yes
Molecular Formula
C9H11N2O9P-2
Molecular Weight
322.170000
Exact Mass
322.020217
InChI
InChI=1S/C9H13N2O9P.2Na/c12-3-4-7(20-21(16,17)18)6(14)8(19-4)11-2-1-5(13)10-9(11)15;;/h1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18);;/q;2*+1/p-2/t4-,6-,7-,8-;;/m1../s1
InChIKey
HJQGLDGSQSMKFD-WFIJOQBCSA-L

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
4
H-bond acceptors
10
H-bond donors
3
Molar refractivity
60.8
TPSA
176.97

LogP / Solubility

WLOGP
-4
MLOGP
-3.5
XLogP3
-3.8
Consensus LogP
-3.77
Log S (ESOL)
0.73
Class (ESOL)
Highly soluble
Log S (Ali)
0.69
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.09
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)
-7.52

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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