[email protected]
CAS 109909-44-6 2′-DEOXYCYTIDINE-5′-TRIPHOSPHATE TRISODIUM SALT molecular structure lightbox
CAS RN: 109909-44-6

2′-DEOXYCYTIDINE-5′-TRIPHOSPHATE TRISODIUM SALT

  • Product code: SSC-011183
GET A QUOTE
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: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 109909-44-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

109909-44-6 / trisodium;[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate

AKOS040759155 | PD158548 | 2'-Deoxycytidine-5'-triphosphate, 100mM sodium salt solution

Standard CAS: 109909-44-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
109909-44-6
Multi CAS
Yes
Molecular Formula
C9H13N3Na3O13P3
Molecular Weight
533.100000
Exact Mass
532.935431
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])O.[Na+].[Na+].[Na+]
InChI
InChI=1S/C9H16N3O13P3.3Na/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17;;;/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17);;;/q;3*+1/p-3/t5-,6+,8+;;;/m0.../s1
InChIKey
WBIPTAOOMJEGQO-MILVPLDLSA-K
Synonyms
AKOS040759155 PD158548 2'-Deoxycytidine-5'-triphosphate, 100mM sodium salt solution

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
8
H-bond acceptors
15
H-bond donors
3
Molar refractivity
80.6
TPSA
258.68

LogP / Solubility

WLOGP
-12.07
MLOGP
-10.58
XLogP3
-12.07
Consensus LogP
-11.57
Log S (ESOL)
4.84
Class (ESOL)
Highly soluble
Log S (Ali)
4.78
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
5.93
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)
-14.54

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
5.5

Customers Also Viewed

Get In Touch

Contact Us