CAS RN: 72957-42-7
ADENYLYL-IMIDODIPHOSPHATE, TETRALITHIUM SALT
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock2 grade groups
- Product code: starshine_CAS72957-42-7
- Purity/Analytical Methods: >99.0%
72957-42-7 / tetralithium;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-(phosphonatoamino)phosphinate
Basic Information
CAS
72957-42-7
Multi CAS
Yes
Molecular Formula
C10H13Li4N6O12P3
Molecular Weight
530.000000
Exact Mass
530.044445
InChI
InChI=1S/C10H17N6O12P3.4Li/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21;;;;/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23);;;;/q;4*+1/p-4/t4-,6-,7-,10-;;;;/m1..../s1
InChIKey
FDBDJIGGLGUOPP-KWIZKVQNSA-J
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
8
H-bond acceptors
17
H-bond donors
4
Molar refractivity
88.65
TPSA
293.25
LogP / Solubility
WLOGP
-16.57
MLOGP
-14.54
XLogP3
-16.57
Consensus LogP
-15.89
Log S (ESOL)
7.65
Class (ESOL)
Highly soluble
Log S (Ali)
8.06
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
9.69
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)
-17.72
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
-
6,7-Dihydroneridienone A
- CAS RN: 72959-46-7
- Product Code: starshine_CAS72959-46-7
- Purity/Analytical method: >99.0%
-
(5R,6S,7S,13aS,16R,17R)-5,6,7,8-Tetrahydro-17-hydroxy-1,2,3-trimethoxy-6,7,16,17-tetramethyl-5,13-(epoxybutanoxy)benzo[3,4]cycloocta[1,2-f][1,3]benzodioxol-18-one
- CAS RN: 72960-21-5
- Product Code: starshine_CAS72960-21-5
- Purity/Analytical method: >99.0%
-
Ethyl 2-aMino-4-isopropylthiophene-3-carboxylate
- CAS RN: 72965-16-3
- Product Code: starshine_CAS72965-16-3
- Purity/Analytical method: >99.0%
-
-
N-CYCLOPROPYL-2-THIOXO-1,2-DIHYDROQUINOLINE-4-CARBOXAMIDE
- CAS RN: 72965-47-0
- Product Code: SSC-182424
-
5-METHYL-7-PHENYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YLAMINE
- CAS RN: 72966-19-9
- Product Code: starshine_CAS72966-19-9
- Purity/Analytical method: >99.0%
![CAS 72960-21-5 (5R,6S,7S,13aS,16R,17R)-5,6,7,8-Tetrahydro-17-hydroxy-1,2,3-trimethoxy-6,7,16,17-tetramethyl-5,13-(epoxybutanoxy)benzo[3,4]cycloocta[1,2-f][1,3]benzodioxol-18-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/72960-21-5.gif)
![CAS 72966-19-9 5-METHYL-7-PHENYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB1276765.gif)