 Home > Encyclopedia > [(6R,8R,9R)-9-acetyloxy-4-amino-8-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-6-yl]methyl benzoate

[(6R,8R,9R)-9-acetyloxy-4-amino-8-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-6-yl]methyl benzoate

[(6R,8R,9R)-9-acetyloxy-4-amino-8-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-6-yl]methyl benzoate structure

CAS No:
142102-74-7
Formula:
C21H21N3O10S
Chemical Name:
[(6R,8R,9R)-9-acetyloxy-4-amino-8-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-6-yl]methyl benzoate
Synonyms:
2'Ac-5'PhCO-SpiroT;142102-74-7;DTXSID60931346;2'-O-Acetyl-5'-O-benzoyl-beta-D-ribofuranosyl)thymine)-3'-spiro-5-(4-amino-1,2-oxathiole-2,2-dioxide);[(1R,3R,4R)-4-acetoxy-6-amino-3-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-8,8-dioxo-2,9-dioxa-8$l^{6}-thiaspiro[4.4]non-6-en-1-yl]methyl benzoate;[9-(Acetyloxy)-4-amino-8-(4-hydroxy-5-methyl-2-oxopyrimidin-1(2H)-yl)-2,2-dioxo-1,7-dioxa-2lambda~6~-thiaspiro[4.4]non-3-en-6-yl]methyl benzoate;2'-O-Acetyl-5'-O-benzoyl-.beta.-D-ribofuranosyl)thymine]-3'-spiro-5-(4-amino-1,2-oxathiole-2,2-dioxide)

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[(6R,8R,9R)-9-acetyloxy-4-amino-8-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-6-yl]methyl benzoate Basic Attributes

Molecular Weight：

507.5 g/mol

Exact Mass：

507.09476505 g/mol

Characteristics

PSA：

189 Å²

Computed Properties

Molecular Weight:507.5
XLogP3:-0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:7
Exact Mass:507.09476505
Monoisotopic Mass:507.09476505
Topological Polar Surface Area:189
Heavy Atom Count:35
Complexity:1100
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [(6R,8R,9R)-9-acetyloxy-4-amino-8-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-6-yl]methyl benzoate

Basic Attributes
Characteristics
Computed Properties
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