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CAS 359436-55-8 ISOGUANOSINE HYDRATE molecular structure lightbox
CAS RN: 359436-55-8

ISOGUANOSINE HYDRATE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251128 10mg In stock Shanghai Inquiry
  • Product code: starshine_CAS359436-55-8
  • Purity/Analytical Methods: >99.0%
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359436-55-8 / 6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-2-one;hydrate

Standard CAS: 359436-55-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
359436-55-8
Multi CAS
Yes
Molecular Formula
C10H15N5O6
Molecular Weight
301.260000
Exact Mass
301.102233
InChI
InChI=1S/C10H13N5O5.H2O/c11-7-4-8(14-10(19)13-7)15(2-12-4)9-6(18)5(17)3(1-16)20-9;/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19);1H2/t3-,5-,6-,9-;/m1./s1
InChIKey
XJFGKAOCZWFNPZ-GWTDSMLYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
9
H-bond donors
5
Molar refractivity
69.18
TPSA
191.01

LogP / Solubility

WLOGP
-3.51
MLOGP
-3.08
XLogP3
-3.51
Consensus LogP
-3.37
Log S (ESOL)
0.32
Class (ESOL)
Highly soluble
Log S (Ali)
0.5
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.06
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)
-7.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5

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