 Home > Encyclopedia > [(7aS)-2,3,5,7a-Tetrahydro-1H-pyrrolizin-7-yl]methyl (2S,3R)-2,3-dihydroxy-2-(1-methylethyl)butanoate

[(7aS)-2,3,5,7a-Tetrahydro-1H-pyrrolizin-7-yl]methyl (2S,3R)-2,3-dihydroxy-2-(1-methylethyl)butanoate

[(7aS)-2,3,5,7a-Tetrahydro-1H-pyrrolizin-7-yl]methyl (2S,3R)-2,3-dihydroxy-2-(1-methylethyl)butanoate structure

CAS No:
551-58-6
Formula:
C15H25NO4
Chemical Name:
[(7aS)-2,3,5,7a-Tetrahydro-1H-pyrrolizin-7-yl]methyl (2S,3R)-2,3-dihydroxy-2-(1-methylethyl)butanoate
Synonyms:
Butanoic acid,2,3-dihydroxy-2-(1-methylethyl)-,[(7aS)-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl ester,(2S,3R)-;Supinine;Butanoic acid,2,3-dihydroxy-2-(1-methylethyl)-,(2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester,[7aS-[7(2R*,3S*),7aR*]]-;[(7aS)-2,3,5,7a-Tetrahydro-1H-pyrrolizin-7-yl]methyl (2S,3R)-2,3-dihydroxy-2-(1-methylethyl)butanoate;Supinin;26541-68-4

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Description

Supinine is a member of pyrrolizines.

[(7aS)-2,3,5,7a-Tetrahydro-1H-pyrrolizin-7-yl]methyl (2S,3R)-2,3-dihydroxy-2-(1-methylethyl)butanoate Basic Attributes

Molecular Weight：

283.368

Exact Mass：

283.36

UNII：

W11Q632E7K

DSSTox ID：

DTXSID70203622

Characteristics

PSA：

XLogP3：

0.5

Density：

1.0662 (rough estimate)

Melting Point：

146-147 °C

Drug Information

MeSH Entry Terms：

spinin

Computed Properties

Molecular Weight:283.36
XLogP3:0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:283.17835828
Monoisotopic Mass:283.17835828
Topological Polar Surface Area:70
Heavy Atom Count:20
Complexity:407
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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[(7aS)-2,3,5,7a-Tetrahydro-1H-pyrrolizin-7-yl]methyl (2S,3S)-2,3-dihydroxy-2-(1-methylethyl)butanoate

17958-43-9

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Guide of [(7aS)-2,3,5,7a-Tetrahydro-1H-pyrrolizin-7-yl]methyl (2S,3R)-2,3-dihydroxy-2-(1-methylethyl)butanoate

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties
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[(7aS)-2,3,5,7a-Tetrahydro-1H-pyrrolizin-7-yl]methyl (2S,3R)-2,3-dihydroxy-2-(1-methylethyl)butanoate

SDS

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