Debug Info

object
{25}
_id
:
JHDRJ3CkrWq
compoundID
:
JHDRJ3CkrWq
ambiguous
:
false
names
[0]
name
:
(2S)-2-[4-[hydroxy-(4-nitrophenoxy)phosphoryl]butanoylamino]propionic acid
ambiguousSiblings
[0]
hasStructure
:
true
recordSources
[2]
properties
{7}
spectrumSourcesMap
{2}
spectrumSourcesMapSuggestedOrder
[2]
otherEnantiomer1Compound
{3}
racemateCompound
{1}
saltCompounds
[0]
isotopicCompounds
[0]
stereoisomerCompounds
[1]
stereoisomerSaltCompounds
[0]
similarCompounds
[10]
vendors
[0]
articles
[1]
lastUpdated
:
1735071411015
isDeprecated
:
false
productInfo
[0]
spectrumSourcesMapCountOriginal
:
2
spectrumSourcesMapCountFiltered
:
2

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(2S)-2-[4-[hydroxy-(4-nitrophenoxy)phosphoryl]butanoylamino]propionic acid
SpectraBase Compound ID JHDRJ3CkrWq
InChI InChI=1S/C13H17N2O8P/c1-9(13(17)18)14-12(16)3-2-8-24(21,22)23-11-6-4-10(5-7-11)15(19)20/h4-7,9H,2-3,8H2,1H3,(H,14,16)(H,17,18)(H,21,22)/t9-/m0/s1
InChIKey KBXXIYHMPQZHCH-VIFPVBQESA-N
Mol Weight 360.26 g/mol
Molecular Formula C13H17N2O8P
Exact Mass 360.072253 g/mol
Enantiomer InChIKey KBXXIYHMPQZHCH-SECBINFHSA-N
Racemate InChIKey KBXXIYHMPQZHCH-UHFFFAOYSA-N
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