[email protected]
CAS 103226-10-4 5-FLUORO-2′-DEOXYURIDINE 5′-MONOPHOSPHATE SODIUM SALT molecular structure lightbox
CAS RN: 103226-10-4

5-FLUORO-2′-DEOXYURIDINE 5′-MONOPHOSPHATE SODIUM SALT

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251018 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS103226-10-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

103226-10-4 / disodium;[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl phosphate

DTXSID40745620 | Sodium 1-[2-deoxy-5-O-(hydroxyphosphinato)pentofuranosyl]-5-fluoropyrimidine-2,4(1H,3H)-dione

Standard CAS: 103226-10-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
103226-10-4
Multi CAS
Yes
Molecular Formula
C9H10FN2Na2O8P
Molecular Weight
370.140000
Exact Mass
369.995419
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)COP(=O)([O-])[O-])O.[Na+].[Na+]
InChI
InChI=1S/C9H12FN2O8P.2Na/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18;;/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18);;/q;2*+1/p-2/t5-,6+,7+;;/m0../s1
InChIKey
XLDWFMGNEABNKL-OJSHLMAWSA-L
Synonyms
DTXSID40745620 Sodium 1-[2-deoxy-5-O-(hydroxyphosphinato)pentofuranosyl]-5-fluoropyrimidine-2,4(1H,3H)-dione

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
4
H-bond acceptors
9
H-bond donors
2
Molar refractivity
59.37
TPSA
156.74

LogP / Solubility

WLOGP
-8.82
MLOGP
-7.74
XLogP3
-8.82
Consensus LogP
-8.46
Log S (ESOL)
3.49
Class (ESOL)
Highly soluble
Log S (Ali)
3.77
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
4.78
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)
-11.24

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
4

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]
Precautionary Statement Codes
P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us