(3S,4S)-pyrrolidine-3,4-diol - CAS 90481-32-6

Catalog:	BB039865
Product Name:	(3S,4S)-pyrrolidine-3,4-diol
CAS:	90481-32-6
Synonyms:	(3S,4S)-pyrrolidine-3,4-diol; (3S,4S)-pyrrolidine-3,4-diol

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Computed Properties

IUPAC Name:	(3S,4S)-pyrrolidine-3,4-diol
Description:	(3S,4S)-pyrrolidine-3,4-diol (CAS# 90481-32-6) is a useful research chemical.
Molecular Weight:	103.12
Molecular Formula:	C4H9NO2
Canonical SMILES:	C1C(C(CN1)O)O
InChI:	InChI=1S/C4H9NO2/c6-3-1-5-2-4(3)7/h3-7H,1-2H2/t3-,4-/m0/s1
InChI Key:	JCZPOYAMKJFOLA-IMJSIDKUSA-N
Boiling Point:	232 °C
Purity:	97.0 %
Density:	1.309 g/cm³
Appearance:	Light yellow liquid with an ammoniacal odor
LogP:	-1.35980

Publication Number	Title	Priority Date
WO-2021194326-A1	Aminopyrimidine derivatives and their use as aryl hydrocarbon receptor modulators	20200327
CN-113493628-A	Quantum dot ink and preparation method of quantum dot film	20200318
CN-113122053-A	Quantum dot ink and preparation method of quantum dot film	20191230
EP-3800188-A1	Substituted pyrazolopyrimidines as irak4 inhibitors	20191002
WO-2021064077-A1	Substituted pyrazolopyrimidines as irak4 inhibitors	20191002

PMID	Publication Date	Title	Journal
15200338	20040624	Stereodivergent and regioselective synthesis of 3,4-cis- and 3,4-trans-pyrrolidinediols from alpha-amino acids	Organic letters

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	58.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	103.063328530
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	103.063328530
Rotatable Bond Count:	0
Topological Polar Surface Area:	52.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.7