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(2S,3R)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-hydroxybutanoic acid

HCID 6992530
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Basic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
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Basic information

CAS
157355-78-7
Standard SMILES
C[C@@H](O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIKey
OYULCCKKLJPNPU-DIFFPNOSSA-N
Molecular formula
C19H19NO5
Average molar mass
341.4 g/mol
Monoisotopic mass
341.12632271

Names & identifiers

Preferred name
(2S,3R)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-hydroxybutanoic acid
IUPAC
(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoic acid

Names & synonyms

(2S,3R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-hydroxybutanoic acid(2S,3R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-hydroxybutanoic acidRefChem:398759630-403-2Fmoc-Thr-OH73731-37-0FMOC-L-THREONINEFmoc-L-Thr-OHN-Fmoc-L-threonineMFCD00077072Fmoc-DL-threonineN-(9-Fluorenylmethoxycarbonyl)threonine
Show more names
(((9H-fluoren-9-yl)methoxy)carbonyl)-L-threonineN-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-threonineAKOS015895366N-ALPHA-(9-FLUORENYLMETHYLOXYCARBONYL)-L-THREONINEAS-50298N-(9-Fluorenylmethoxycarbonyl)-L-threonineEN300-81295M03388

Database identifiers

CAS
157355-78-7、73731-37-0
PubChem CID
6992530
UNII
A2B5SD8STQ、XBW3QSY8QL
EC Number
630-403-2
Nikkaji
J1.365.142F

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
95.9 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
25
Formal charge
0
Complexity
474

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Related reactions

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Compound notes

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