Diisopropyl (R)-2-Hydroxysuccinate - CAS 83540-97-0

Catalog:	BB037049
Product Name:	Diisopropyl (R)-2-Hydroxysuccinate
CAS:	83540-97-0
Synonyms:	(2R)-2-hydroxybutanedioic acid dipropan-2-yl ester; dipropan-2-yl (2R)-2-hydroxybutanedioate

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Computed Properties

IUPAC Name:	dipropan-2-yl (2R)-2-hydroxybutanedioate
Description:	Diisopropyl (R)-2-Hydroxysuccinate (CAS# 83540-97-0) is a useful research chemical.
Molecular Weight:	218.25
Molecular Formula:	C10H18O5
Canonical SMILES:	CC(C)OC(=O)CC(C(=O)OC(C)C)O
InChI:	InChI=1S/C10H18O5/c1-6(2)14-9(12)5-8(11)10(13)15-7(3)4/h6-8,11H,5H2,1-4H3/t8-/m1/s1
InChI Key:	XYVHRFVONMVDGK-MRVPVSSYSA-N
Boiling Point:	237 °C (lit.)
Density:	1.055 g/mL at 25°C(lit.)
MDL:	MFCD00274204
LogP:	0.64060

Publication Number	Title	Priority Date
US-2015362490-A1	Protein biosensors, cross reactive sensor arrays and methods of use thereof	20121231
US-2010292484-A1	Chiral Pyrrolidine Core Compounds en route to Inhibitors of Nitric Oxide Synthase	20090515
US-8389731-B2	Chiral pyrrolidine core compounds en route to inhibitors of nitric oxide synthase	20090515
US-8829187-B1	Chiral pyrrolidine core compounds en route to inhibitors of nitric oxide synthase	20090515
WO-2010132873-A2	Chiral pyrrolidine core compounds en route to inhibitors of nitric oxide synthase	20090515

PMID	Publication Date	Title	Journal
19860389	20091119	Concise route to the chiral pyrrolidine core of selective inhibitors of neuronal nitric oxide	Organic letters

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	222
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	218.11542367
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	218.11542367
Rotatable Bond Count:	7
Topological Polar Surface Area:	72.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9