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(+)-(3aR,4R,5r,6aS)-Hexahydro-5-hydrox...

(+)-(3aR,4R,5r,6aS)-Hexahydro-5-hydrox... structure

CAS No:
53872-60-9
Formula:
C18H19F3O5
Chemical Name:
(+)-(3aR,4R,5r,6aS)-Hexahydro-5-hydrox...
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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(+)-(3aR,4R,5r,6aS)-Hexahydro-5-hydrox... Basic Attributes

Molecular Weight：

372.34

Exact Mass：

372.118469

DSSTox ID：

DTXSID80736572

Characteristics

PSA：

75.99000

XLogP3：

1.05

Density：

1.4±0.1 g/cm3

Boiling Point：

520.6±50.0 °C at 760 mmHg

Flash Point：

268.6±30.1 °C

Refractive Index：

1.583

Storage Conditions：

-20°C

Safety Information

GHS Classification：

|Warning|H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]|P201, P202, P260, P261, P263, P264, P270, P271, P280, P281, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:372.3
XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:372.11845819
Monoisotopic Mass:372.11845819
Topological Polar Surface Area:76
Heavy Atom Count:26
Complexity:535
Defined Atom Stereocenter Count:5
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (+)-(3aR,4R,5r,6aS)-Hexahydro-5-hydrox...

Basic Attributes
Characteristics
Safety Information
Computed Properties
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(+)-(3aR,4R,5r,6aS)-Hexahydro-5-hydrox...

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