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CAS 3590-47-4 5-Methyluridine 5′-Monophosphate molecular structure lightbox
CAS RN: 3590-47-4

5-Methyluridine 5′-Monophosphate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250912 50mg / 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS3590-47-4
  • Purity/Analytical Methods: >99.0%
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3590-47-4 / [(2R,3S,4R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate

Standard CAS: 3590-47-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3590-47-4
Multi CAS
No
Molecular Formula
C10H15N2O9P
Molecular Weight
338.210000
Exact Mass
338.051517
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
InChI
InChI=1S/C10H15N2O9P/c1-4-2-12(10(16)11-8(4)15)9-7(14)6(13)5(21-9)3-20-22(17,18)19/h2,5-7,9,13-14H,3H2,1H3,(H,11,15,16)(H2,17,18,19)/t5-,6-,7-,9-/m1/s1
InChIKey
IGWHDMPTQKSDTL-JXOAFFINSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
5
Molar refractivity
69.98
TPSA
171.31

LogP / Solubility

WLOGP
-2.43
MLOGP
-2.12
XLogP3
-3.3
Consensus LogP
-2.62
Log S (ESOL)
-0.35
Class (ESOL)
Very soluble
Log S (Ali)
-0.58
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.32
Class (SILICOS-IT)
Very 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)
-6.51

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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