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CAS 142760-33-6 D-MYO-INOSITOL 4-MONOPHOSPHATE AMMONIUM SALT molecular structure lightbox
CAS RN: 142760-33-6

D-MYO-INOSITOL 4-MONOPHOSPHATE AMMONIUM SALT

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250129 100μg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS142760-33-6
  • Purity/Analytical Methods: >99.0%
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142760-33-6 / azanium [(2R,3S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl] hydrogen phosphate

Standard CAS: 142760-33-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
142760-33-6
Multi CAS
No
Molecular Formula
C6H16NO9P
Molecular Weight
277.170000
Exact Mass
277.056268
SMILES
[C@H]1([C@H](C([C@H]([C@H](C1O)O)O)OP(=O)(O)[O-])O)O.[NH4+]
InChI
InChI=1S/C6H13O9P.H3N/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14;/h1-11H,(H2,12,13,14);1H3/t1?,2-,3-,4-,5+,6?;/m0./s1
InChIKey
REMBBOONLXQKLK-GEXMZCQLSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
8
H-bond donors
7
Molar refractivity
50.72
TPSA
207.24

LogP / Solubility

WLOGP
-3.97
MLOGP
-3.49
XLogP3
-3.97
Consensus LogP
-3.81
Log S (ESOL)
1.08
Class (ESOL)
Highly soluble
Log S (Ali)
1.04
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.6
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)
-7.23

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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