CAS RN: 102832-10-0
2′-DEOXYADENOSINE 3′-MONOPHOSPHATE SODIUM SALT
Product Availability
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS102832-10-0
- Purity/Analytical Methods: >99.0%
102832-10-0 / 2′-DEOXYADENOSINE 3′-MONOPHOSPHATE SODIUM SALT
2'-Deoxy-D-adenosine 3'-monophosphate sodium salt | 2'-Deoxyadenosine-3'-monophosphate sodium salt | AKOS015909128
Basic Information
CAS
102832-10-0
Multi CAS
Yes
Molecular Formula
C10H14N5NaO6P
Molecular Weight
354.210000
Exact Mass
354.057939
SMILES
C1C(C(OC1N2C=NC3=C(N=CN=C32)N)CO)OP(=O)(O)O.[Na]
InChI
InChI=1S/C10H14N5O6P.Na/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(6(2-16)20-7)21-22(17,18)19;/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19);
InChIKey
KCFZLWFDWSTCGO-UHFFFAOYSA-N
Synonyms
2'-Deoxy-D-adenosine 3'-monophosphate sodium salt
2'-Deoxyadenosine-3'-monophosphate sodium salt
AKOS015909128
ND05758
G91214
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
9
H-bond donors
4
Molar refractivity
78.02
TPSA
165.84
LogP / Solubility
WLOGP
-1.21
MLOGP
-1.05
XLogP3
-1.21
Consensus LogP
-1.16
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.43
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)
-5.74
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
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