CAS RN: 102783-50-6
2′-DEOXYCYTIDINE 3′-MONOPHOSPHATE AMMONIUM SALT
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250928 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS102783-50-6
- Purity/Analytical Methods: >99.0%
102783-50-6 / [5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate;azane
2'-Deoxycytidine 3'-monophosphate ammonium salt | 2'-Deoxycytidine-3'-monophosphate ammonium salt | 3'-dCMP
Basic Information
CAS
102783-50-6
Multi CAS
Yes
Molecular Formula
C9H17N4O7P
Molecular Weight
324.230000
Exact Mass
324.083486
SMILES
C1C(C(OC1N2C=CC(=NC2=O)N)CO)OP(=O)(O)O.N
InChI
InChI=1S/C9H14N3O7P.H3N/c10-7-1-2-12(9(14)11-7)8-3-5(6(4-13)18-8)19-20(15,16)17;/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17);1H3
InChIKey
VCTPYSBTEURORB-UHFFFAOYSA-N
Synonyms
2'-Deoxycytidine 3'-monophosphate ammonium salt
2'-Deoxycytidine-3'-monophosphate ammonium salt
3'-dCMP
DTXSID90585134
[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate;azane
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
4
H-bond acceptors
9
H-bond donors
5
Molar refractivity
70.46
TPSA
192.13
LogP / Solubility
WLOGP
-1.25
MLOGP
-1.09
XLogP3
-1.25
Consensus LogP
-1.2
Log S (ESOL)
-1.01
Class (ESOL)
Soluble
Log S (Ali)
-1.31
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.21
Class (SILICOS-IT)
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)
-5.59
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
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