CP2monohydrate,(5aS,7S)-7-[2-(6-Amino-3H-purin-3-yl)-1-methylethyl]-5a,6,8,9-tetrahydro-3-methyl-1H,7H-pyrano[4,3-b]benzopyran-1-onemonohydrate
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![CP2monohydrate,(5aS,7S)-7-[2-(6-Amino-3H-purin-3-yl)-1-methylethyl]-5a,6,8,9-tetrahydro-3-methyl-1H,7H-pyrano[4,3-b]benzopyran-1-onemonohydrate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/304614893a774c7081812579c72c2c95.png "CP2monohydrate,(5aS,7S)-7-[2-(6-Amino-3H-purin-3-yl)-1-methylethyl]-5a,6,8,9-tetrahydro-3-methyl-1H,7H-pyrano[4,3-b]benzopyran-1-onemonohydrate")
CP2monohydrate,(5aS,7S)-7-[2-(6-Amino-3H-purin-3-yl)-1-methylethyl]-5a,6,8,9-tetrahydro-3-methyl-1H,7H-pyrano[4,3-b]benzopyran-1-onemonohydrate
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CAS No:
603113-07-1
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Formula:
C21H23N5O3H2O
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Chemical Name:
CP2monohydrate,(5aS,7S)-7-[2-(6-Amino-3H-purin-3-yl)-1-methylethyl]-5a,6,8,9-tetrahydro-3-methyl-1H,7H-pyrano[4,3-b]benzopyran-1-onemonohydrate
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Synonyms:
Aminopurinylpyranobenzopyranonemonohydrate;CP2monohydrate,(5aS,7S)-7-[2-(6-Amino-3H-purin-3-yl)-1-methylethyl]-5a,6,8,9-tetrahydro-3-methyl-1H,7H-pyrano[4,3-b]benzopyran-1-onemonohydrate
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CAS No:
CP2monohydrate,(5aS,7S)-7-[2-(6-Amino-3H-purin-3-yl)-1-methylethyl]-5a,6,8,9-tetrahydro-3-methyl-1H,7H-pyrano[4,3-b]benzopyran-1-onemonohydrate Basic Attributes
393.4
393.18008961
Computed Properties
Molecular Weight:393.4
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:393.18008961
Monoisotopic Mass:393.18008961
Topological Polar Surface Area:104
Heavy Atom Count:29
Complexity:874
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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