[3-Acetyloxy-2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]propyl] (2S)-2-amino-3-methylbutanoate hydrochloride

Details

Stereochemistry	EPIMERIC
Molecular Formula	C16H24N6O6.ClH
Molecular Weight	432.859
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of [3-Acetyloxy-2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]propyl] (2S)-2-amino-3-methylbutanoate hydrochloride

Structure Search

SMILES

Cl.CC(C)[C@H](N)C(=O)OCC(COC(C)=O)OCN1C=NC2=C1NC(N)=NC2=O

InChI

InChIKey=UUCQCTDPDBFLFF-GQNCZFCYSA-N

InChI=1S/C16H24N6O6.ClH/c1-8(2)11(17)15(25)27-5-10(4-26-9(3)23)28-7-22-6-19-12-13(22)20-16(18)21-14(12)24;/h6,8,10-11H,4-5,7,17H2,1-3H3,(H3,18,20,21,24);1H/t10?,11-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C16H24N6O6
Molecular Weight	396.3984
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	1 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 18:46:10 GMT 2025` Edited by `admin` on `Wed Apr 02 18:46:10 GMT 2025`
Record UNII	6Q4LKJ8W6Y
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

[3-Acetyloxy-2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]propyl] (2S)-2-amino-3-methylbutanoate hydrochloride

Systematic Name

English

L-Valine, 3-(acetyloxy)-2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]propyl ester, hydrochloride (1:1)

Preferred Name

English

Code System Code Type Description

CAS

960495-42-5

Created by admin on Wed Apr 02 18:46:10 GMT 2025 , Edited by admin on Wed Apr 02 18:46:10 GMT 2025

PRIMARY

PUBCHEM

171390123

Created by admin on Wed Apr 02 18:46:10 GMT 2025 , Edited by admin on Wed Apr 02 18:46:10 GMT 2025

PRIMARY

FDA UNII

6Q4LKJ8W6Y

Created by admin on Wed Apr 02 18:46:10 GMT 2025 , Edited by admin on Wed Apr 02 18:46:10 GMT 2025

PRIMARY

Related Record Type Details


					M8XVD9SR8Z

[3-Acetyloxy-2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]propyl] (2S)-2-amino-3-methylbutanoate

PARENT -> SALT/SOLVATE

Amount: