 Home > Encyclopedia > sodium,3-[(4aR,6R,7R,7aS)-7-hydroxy-2-oxido-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-bromo-6-phenyl-5H-imidazo[1,2-a]purin-9-one,hydrate

sodium,3-[(4aR,6R,7R,7aS)-7-hydroxy-2-oxido-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-bromo-6-phenyl-5H-imidazo[1,2-a]purin-9-one,hydrate

sodium,3-[(4aR,6R,7R,7aS)-7-hydroxy-2-oxido-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-bromo-6-phenyl-5H-imidazo[1,2-a]purin-9-one,hydrate structure

CAS No:
185246-32-6
Formula:
C18H16BrN5NaO7PS
Chemical Name:
sodium,3-[(4aR,6R,7R,7aS)-7-hydroxy-2-oxido-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-bromo-6-phenyl-5H-imidazo[1,2-a]purin-9-one,hydrate

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sodium,3-[(4aR,6R,7R,7aS)-7-hydroxy-2-oxido-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-bromo-6-phenyl-5H-imidazo[1,2-a]purin-9-one,hydrate Basic Attributes

Molecular Weight：

580.28100

Exact Mass：

578.95891

DSSTox ID：

DTXSID00635674

Characteristics

PSA：

190.09000

XLogP3：

2.71680

Melting Point：

240-300ºC

Safety Information

safety instructions：

S22; S24/25

Computed Properties

Molecular Weight:580.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:2
Exact Mass:578.95891
Monoisotopic Mass:578.95891
Topological Polar Surface Area:167
Heavy Atom Count:34
Complexity:940
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes

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Guide of sodium,3-[(4aR,6R,7R,7aS)-7-hydroxy-2-oxido-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-bromo-6-phenyl-5H-imidazo[1,2-a]purin-9-one,hydrate

Basic Attributes
Characteristics
Safety Information
Computed Properties

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