strontium;(2S)-2-aminopentanedioate;pentahydrate

C5H17NO9Sr — CID 172813696

IUPACstrontium;(2S)-2-aminopentanedioate;pentahydrate
SMILESN[C@@H](CCC(=O)[O-])C(=O)[O-].O.O.O.O.O.[Sr+2]
InChIInChI=1S/C5H9NO4.5H2O.Sr/c6-3(5(9)10)1-2-4(7)8;;;;;;/h3H,1-2,6H2,(H,7,8)(H,9,10);5*1H2;/q;;;;;;+2/p-2/t3-;;;;;;/m0....../s1
InChIKeySNKCISREKSEASG-YTJAIRILSA-L
MW322.81 g/mol
LogP-7.91
Rot. Bonds4

About strontium;(2S)-2-aminopentanedioate;pentahydrate

strontium;(2S)-2-aminopentanedioate;pentahydrate (PubChem CID 172813696) has the molecular formula C5H17NO9Sr and a molecular weight of 322.81 g/mol. Its IUPAC name is strontium;(2S)-2-aminopentanedioate;pentahydrate.

Molecular Properties

Compound Namestrontium;(2S)-2-aminopentanedioate;pentahydrate
PubChem CID172813696
Molecular FormulaC5H17NO9Sr
Molecular Weight322.81 g/mol
Exact Mass323.00
IUPAC Namestrontium;(2S)-2-aminopentanedioate;pentahydrate
SMILESN[C@@H](CCC(=O)[O-])C(=O)[O-].O.O.O.O.O.[Sr+2]
InChIInChI=1S/C5H9NO4.5H2O.Sr/c6-3(5(9)10)1-2-4(7)8;;;;;;/h3H,1-2,6H2,(H,7,8)(H,9,10);5*1H2;/q;;;;;;+2/p-2/t3-;;;;;;/m0....../s1
InChIKeySNKCISREKSEASG-YTJAIRILSA-L
XLogP-7.91
TPSA263.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.81
LogP ≤ 5-7.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

strontium;(2R)-2-aminopentanedioate;hydrate
CID 141288425
calcium;bis((2S)-2-aminopentanedioate);hydron;tetrahydrate
CID 91826886
(2S)-2-aminopentanedioate;cadmium(2+)
CID 159859619
diazanium;2-aminopentanedioate
CID 22497325
(2S)-2-aminopentanedioate;nickel(2+)
CID 87532151
copper (2S)-2-aminopentanedioate
CID 87093217
tris((2S)-2-aminopentanedioate);bis(cerium(3+))
CID 160944724
(2S)-2-aminopentanedioate;manganese(2+)
CID 10442757
calcium;bis((2S)-2-aminopentanedioate);hydride
CID 139033629
tetrasodium;2-aminopentanedioate;oxalate
CID 175012253
tetrasodium;2-aminopentanedioate;diacetate
CID 18668480
disodium;2-aminopentanedioate;ethane-1,2-diol
CID 174730127

Frequently Asked Questions

What is the IUPAC name of strontium;(2S)-2-aminopentanedioate;pentahydrate?
The IUPAC name of strontium;(2S)-2-aminopentanedioate;pentahydrate (CID 172813696) is strontium;(2S)-2-aminopentanedioate;pentahydrate.
What is the SMILES notation for strontium;(2S)-2-aminopentanedioate;pentahydrate?
The canonical SMILES for strontium;(2S)-2-aminopentanedioate;pentahydrate is N[C@@H](CCC(=O)[O-])C(=O)[O-].O.O.O.O.O.[Sr+2].
What is the InChIKey of strontium;(2S)-2-aminopentanedioate;pentahydrate?
The InChIKey is SNKCISREKSEASG-YTJAIRILSA-L. The full InChI is InChI=1S/C5H9NO4.5H2O.Sr/c6-3(5(9)10)1-2-4(7)8;;;;;;/h3H,1-2,6H2,(H,7,8)(H,9,10);5*1H2;/q;;;;;;+2/p-2/t3-;;;;;;/m0....../s1.
What are the key properties of strontium;(2S)-2-aminopentanedioate;pentahydrate?
strontium;(2S)-2-aminopentanedioate;pentahydrate has a molecular weight of 322.81 g/mol, XLogP of -7.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for strontium;(2S)-2-aminopentanedioate;pentahydrate is sourced from PubChem (CID 172813696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).