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CAS 107910-75-8 Ganciclovir sodium molecular structure lightbox
CAS RN: 107910-75-8

Ganciclovir sodium

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10 package records9 with current stock3 grade groups
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Batchno.20250512 100g In stock Inquiry
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Batchno.20250225 1g In stock Shanghai Inquiry
Batchno.20260129 250mg In stock Shanghai Inquiry
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  • Product code: starshine_CAS107910-75-8
  • Purity/Analytical Methods: >99.0%
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107910-75-8 / sodium 2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)purin-6-olate

AKOS025401444 | AC-1671

Standard CAS: 107910-75-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
107910-75-8
Multi CAS
Yes
Molecular Formula
C9H12N5NaO4
Molecular Weight
277.210000
Exact Mass
277.078698
SMILES
C1=NC2=C(N1COC(CO)CO)N=C(N=C2[O-])N.[Na+]
InChI
InChI=1S/C9H13N5O4.Na/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16;/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17);/q;+1/p-1
InChIKey
JJICLMJFIKGAAU-UHFFFAOYSA-M
Synonyms
AKOS025401444 AC-1671

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.44
Rotatable bonds
5
H-bond acceptors
9
H-bond donors
3
Molar refractivity
58.23
TPSA
142.37

LogP / Solubility

WLOGP
-5.19
MLOGP
-4.55
XLogP3
-5.19
Consensus LogP
-4.98
Log S (ESOL)
1.69
Class (ESOL)
Highly soluble
Log S (Ali)
1.91
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.24
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)
-8.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Health Hazard
Signal
Danger
GHS Hazard Statements
H350 (100%): May cause cancer [Danger Carcinogenicity] H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity]
Precautionary Statement Codes
P203, P280, P318, P405, and P501

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