 Home > Encyclopedia > (1S,6R,7S,7aS)-7-hydroxy-7a-(hydroxymethyl)-6-methyl-1-propan-2-yl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one

(1S,6R,7S,7aS)-7-hydroxy-7a-(hydroxymethyl)-6-methyl-1-propan-2-yl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one

(1S,6R,7S,7aS)-7-hydroxy-7a-(hydroxymethyl)-6-methyl-1-propan-2-yl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one structure

CAS No:
145452-02-4
Formula:
C11H19NO4
Chemical Name:
(1S,6R,7S,7aS)-7-hydroxy-7a-(hydroxymethyl)-6-methyl-1-propan-2-yl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one

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(1S,6R,7S,7aS)-7-hydroxy-7a-(hydroxymethyl)-6-methyl-1-propan-2-yl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one Basic Attributes

Molecular Weight：

229.27300

Exact Mass：

229.13140809

DSSTox ID：

DTXSID00447294

Characteristics

PSA：

70.00000

XLogP3：

-0.49310

Density：

1.26g/cm3

Boiling Point：

413.2ºC at 760 mmHg

Flash Point：

203.7ºC

Refractive Index：

1.55

Vapor Pressure：

1.49E-08mmHg at 25°C

Computed Properties

Molecular Weight:229.27
XLogP3:0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:229.13140809
Monoisotopic Mass:229.13140809
Topological Polar Surface Area:70
Heavy Atom Count:16
Complexity:306
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (1S,6R,7S,7aS)-7-hydroxy-7a-(hydroxymethyl)-6-methyl-1-propan-2-yl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one

Basic Attributes
Characteristics
Computed Properties

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