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CAS 102029-68-5 ADENOSINE 5′-MONOPHOSPHORAMIDATE SODIUM SALT molecular structure lightbox
CAS RN: 102029-68-5

ADENOSINE 5′-MONOPHOSPHORAMIDATE SODIUM SALT

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Batchno.20250816 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS102029-68-5
  • Purity/Analytical Methods: >99.0%
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102029-68-5 / sodium amino-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate

Adenosine 5'-monophosphoramidate sodium salt | sodium;amino-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate | Adenosine 5'-monophosphoramidate sodium

Standard CAS: 102029-68-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
102029-68-5
Multi CAS
Yes
Molecular Formula
C10H14N6NaO6P
Molecular Weight
368.220000
Exact Mass
368.061013
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(N)[O-])O)O)N.[Na+]
InChI
InChI=1S/C10H15N6O6P.Na/c11-8-5-9(14-2-13-8)16(3-15-5)10-7(18)6(17)4(22-10)1-21-23(12,19)20;/h2-4,6-7,10,17-18H,1H2,(H2,11,13,14)(H3,12,19,20);/q;+1/p-1/t4-,6-,7-,10-;/m1./s1
InChIKey
ALRHXZAMLVPXPL-MCDZGGTQSA-M
Synonyms
Adenosine 5'-monophosphoramidate sodium salt sodium;amino-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate Adenosine 5'-monophosphoramidate sodium Adenosine 5 inverted exclamation marka-monophosphoramidate (sodium) Sodium ((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoramidate

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
11
H-bond donors
4
Molar refractivity
73.4
TPSA
194.69

LogP / Solubility

WLOGP
-5.52
MLOGP
-4.84
XLogP3
-5.52
Consensus LogP
-5.29
Log S (ESOL)
1.34
Class (ESOL)
Highly soluble
Log S (Ali)
1.41
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.05
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)
-8.89

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
5

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