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Butanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxy-, (S)- (9CI)

Butanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxy-, (S)- (9CI) structure

CAS No:
127852-78-2
Formula:
C9H17NO5
Chemical Name:
Butanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxy-, (S)- (9CI)
Synonyms:
(S)-4-((tert-Butoxycarbonyl)amino)-3-hydroxybutanoic acid;(3S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;SCHEMBL3765616;DTXSID10515993;ZINC38528940;AKOS015908767;(S)-(-)-4-N-Boc-Amino-3-Hydroxybutanoic Acid;(3S)-3-Hydroxy-4-(tert-butoxycarbonylamino)butyric acid;(3S)-4-[(TERT-BUTOXYCARBONYL)AMINO]-3-HYDROXYBUTANOIC ACID;(3S)-4-({[(1,1-dimethylethyl)oxy]carbonyl}amino)-3-hydroxybutanoic acid

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Butanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxy-, (S)- (9CI) Basic Attributes

Molecular Weight：

219.23498

Exact Mass：

219.11100

DSSTox ID：

DTXSID10515993

HScode：

2924199090

Characteristics

PSA：

95.9

XLogP3：

0.73760

Density：

1.204±0.06 g/cm3(Predicted)

Boiling Point：

411.8±40.0 °C(Predicted)

Computed Properties

Molecular Weight:219.23
XLogP3:-0.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:219.11067264
Monoisotopic Mass:219.11067264
Topological Polar Surface Area:95.9
Heavy Atom Count:15
Complexity:233
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Butanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxy-, (S)- (9CI)

Basic Attributes
Characteristics
Computed Properties
Learn More Other Chemicals

Butanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxy-, (S)- (9CI)

SDS

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