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CAS 75431-54-8 3′-PHOSPHOADENOSINE 5′-PHOSPHATE molecular structure lightbox
CAS RN: 75431-54-8

3′-PHOSPHOADENOSINE 5′-PHOSPHATE

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250531 10mg In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20250730 1mg In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
Batchno.20250119 5mg In stock Shandong Inquiry
  • Product code: starshine_CAS75431-54-8
  • Purity/Analytical Methods: >99.0%
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75431-54-8 / disodium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy(oxido)phosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate

Standard CAS: 75431-54-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
75431-54-8
Multi CAS
Yes
Molecular Formula
C10H13N5NA2O10P2
Molecular Weight
471.170000
Exact Mass
470.993304
InChI
InChI=1S/C10H15N5O10P2.2Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19;;/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22);;/q;2*+1/p-2/t4-,6-,7-,10-;;/m1../s1
InChIKey
PQHHAKIJTDLQLS-IDIVVRGQSA-L

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
13
H-bond donors
4
Molar refractivity
80.13
TPSA
238.26

LogP / Solubility

WLOGP
-9
MLOGP
-7.89
XLogP3
-9
Consensus LogP
-8.63
Log S (ESOL)
3.08
Class (ESOL)
Highly soluble
Log S (Ali)
3.08
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
4.03
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)
-11.99

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
5.5

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