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75128-73-3

Basic Information
CAS No.: 75128-73-3
Name: Acetamide,N-[9-[[2-(acetyloxy)ethoxy]methyl]-6,9-dihydro-6-oxo-1H-purin-2-yl]-
Molecular Structure:
Molecular Structure of 75128-73-3 (Acetamide,N-[9-[[2-(acetyloxy)ethoxy]methyl]-6,9-dihydro-6-oxo-1H-purin-2-yl]-)
Formula: C12H15N5O5
Molecular Weight: 309.28
Synonyms: 9-[(2-Acetoxyethoxy)methyl]-N2-acetylguanine;N2-Acetyl-9-(2-acetoxyethoxymethyl)guanine;2,9-diacetylacyclovir;2-{[2-(acetylamino)-6-oxo-3,6-dihydro-9H-purin-9-yl]methoxy}ethyl acetate;9-[(2-Acetoxyethoxy)methyl]-acetylguanine;acetamide, N-[9-[[2-(acetyloxy)ethoxy]methyl]-6,9-dihydro-6-oxo-1H-purin-2-yl]-;
EINECS: 278-077-7
Density: 1.53 g/cm3
Melting Point: 204 °C
Boiling Point:
Flash Point:
Solubility:
Appearance: white to light yellow crystal powder
Hazard Symbols: Xn,Xi
Risk Codes: 20/21/22-36/37/38
Safety: 26-36-37/39
Transport Information:
PSA: 128.20000
LogP: -0.31180
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  • High quality 2,9-Diacetylacyclovir

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    75128-73-3

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  • Aciclovir EP Impurity G with high purity in stock CAS 75128-73-3

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    75128-73-3

    Aciclovir EP Impurity G with high purity in stock CAS 75128-73-3

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  • 9-[(2-Acetoxyethoxy)methyl]-N2-acetylguanine.

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    75128-73-3

    9-[(2-Acetoxyethoxy)methyl]-N2-acetylguanine.

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  • TIANFU CHEM 9-[(2-Acetoxyethoxy)methyl]-N2-acetylguanine

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    75128-73-3

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  • 75128-73-3

  • Casno:

    75128-73-3

    75128-73-3

    Min.Order: 0

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Specification

The Acetamide,N-[9-[[2-(acetyloxy)ethoxy]methyl]-6,9-dihydro-6-oxo-1H-purin-2-yl]-, with the CAS registry number 75128-73-3 and EINECS registry number 278-077-7, is a kind of white to light yellow crystal powder, and belongs to the following product categories: Active Pharmaceutical Ingredients; Heterocyclic Compounds; Heterocycles; Impurities; Intermediates & Fine Chemicals; Pharmaceuticals. And the molecular formula of the chemical is C12H15N5O5. It is always used as intermediates of acyclovir.

The physical properties of Acetamide,N-[9-[[2-(acetyloxy)ethoxy]methyl]-6,9-dihydro-6-oxo-1H-purin-2-yl]- are as followings: (1)# of Rule of 5 Violations: 1; (2)ACD/LogD (pH 5.5): -0.75; (3)ACD/LogD (pH 7.4): -0.77; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 10; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 106.33 Å2; (12)Index of Refraction: 1.654; (13)Molar Refractivity: 73.88 cm3; (14)Molar Volume: 201.5 cm3; (15)Polarizability: 29.29×10-24cm3; (16)Surface Tension: 60.2 dyne/cm; (17)Density: 1.53 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC/1=N/C(=O)c2ncn(c2N\1)COCCOC(=O)C)C
(2)InChI: InChI=1/C12H15N5O5/c1-7(18)14-12-15-10-9(11(20)16-12)13-5-17(10)6-21-3-4-22-8(2)19/h5H,3-4,6H2,1-2H3,(H2,14,15,16,18,20)
(3)InChIKey: VBHLKZHSCMQLTI-UHFFFAOYAF