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(-)-Corey lactone diol

(-)-Corey lactone diol structure

CAS No:
32233-40-2
Formula:
C8H12O4
Chemical Name:
(-)-Corey lactone diol
Synonyms:
(-) COREY LACTONE DIOL;(-)-COREY LACTONE DIOL,98%;(3AR,4S,5R,6AS)-(-)-HEXAHYDRO-5-HYDROXY-4--2H-CYCLOPENTA(B)FURAN-2-ONE,;(1R)-2β-(Hydroxymethyl)-3α,5α-dihydroxycyclopentane-1α-acetic acid 1,5-lactone;(1S,5R,6S,7R)-7-Hydroxy-6-hydroxymethyl-2-oxabicyclo[3.3.0]octan-3-one;(3aβ,4S,6aβ)-4β-(Hydroxymethyl)-5α-hydroxyhexahydro-2H-cyclopenta[b]furan-2-one;(-)-6beta-Hydroxymethyl-7alpha-hydroxy-cis-2-oxabicyclo[3.3.0]octan-3-one,98%;(+)-6β-Hydroxymethyl-7α-hydroxy-cis-2-oxabicyclo[3.3.0]octan-3-one
Categories:
Pharmaceutical Intermediates > Ophthalmic Agents

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Description

(-)-Corey lactone diol is a reduced version of corey aldehyde. A building block in the chemical synthesis.

(-)-corey lactone is a gamma-lactone.

white to beige-brown cryst. powder or crystals

(-)-Corey lactone diol Basic Attributes

Molecular Weight：

172.18

Exact Mass：

172.18

EC Number：

608-721-8

DSSTox ID：

DTXSID10369135

Color/Form：

White to beige-brown

HScode：

29322090

Characteristics

PSA：

66.8

XLogP3：

-0.2

Appearance：

White to beige-brown Crystalline Powder or Crystals

Density：

1.2104 (rough estimate)

Melting Point：

117-119 °C(lit.)

Boiling Point：

262.49°C (rough estimate)

Flash Point：

172.9±16.7 °C

Refractive Index：

1.4455 (estimate)

Storage Conditions：

-20°C

PKA：

14.36±0.40(Predicted)

Critical Temperature & Pressure：

Sealed in dry,Room Temperature

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R24/25

safety instructions：

24/25

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P322, P330, P363, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 4 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

(-)-Corey lactone diol Use and Manufacturing

(-)-Corey Lactone Diol is an intermediate of Iloprost (I267300) and shows inhibitory activity towards β-lactamase. Iloprost (I267300) is a synthetic analogue of Prostacyclin (PGI2) used to treat pulmonary arterial hypertension (PAH), scleroderma, Raynaud's phenomenon and ischemia.

Computed Properties

Molecular Weight:172.18
XLogP3:-0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:172.07355886
Monoisotopic Mass:172.07355886
Topological Polar Surface Area:66.8
Heavy Atom Count:12
Complexity:203
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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