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disodium 1-({4-[2-({4-[(2,5-dioxo-3-sulfonatopyrrolidin-1-yl)oxy]-4-oxobutanoyl}oxy)ethoxy]-4-oxobutanoyl}oxy)-2,5-dioxopyrrolidine-3-sulfonate
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ChemBase ID:
155976
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Molecular Formular:
C18H18N2Na2O18S2
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Molecular Mass:
660.44766
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Monoisotopic Mass:
659.97914231
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SMILES and InChIs
SMILES:
C1C(C(=O)N(C1=O)OC(=O)CCC(=O)OCCOC(=O)CCC(=O)ON1C(=O)CC(C1=O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
Canonical SMILES:
O=C(CCC(=O)ON1C(=O)CC(C1=O)S(=O)(=O)[O-])OCCOC(=O)CCC(=O)ON1C(=O)CC(C1=O)S(=O)(=O)[O-].[Na+].[Na+]
InChI:
InChI=1S/C18H20N2O18S2.2Na/c21-11-7-9(39(29,30)31)17(27)19(11)37-15(25)3-1-13(23)35-5-6-36-14(24)2-4-16(26)38-20-12(22)8-10(18(20)28)40(32,33)34;;/h9-10H,1-8H2,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2
InChIKey:
IYBKWXQWKPSYDT-UHFFFAOYSA-L
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Cite this record
CBID:155976 http://www.chembase.cn/molecule-155976.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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disodium 1-({4-[2-({4-[(2,5-dioxo-3-sulfonatopyrrolidin-1-yl)oxy]-4-oxobutanoyl}oxy)ethoxy]-4-oxobutanoyl}oxy)-2,5-dioxopyrrolidine-3-sulfonate
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IUPAC Traditional name
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disodium 1-({4-[2-({4-[(2,5-dioxo-3-sulfonatopyrrolidin-1-yl)oxy]-4-oxobutanoyl}oxy)ethoxy]-4-oxobutanoyl}oxy)-2,5-dioxopyrrolidine-3-sulfonate
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Synonyms
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Bis(sulfo-N-succinimidyl) ethylene glycol disuccinate sodium salt
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Ethylene glycol bis(sulfosuccinimidyl succinate) sodium salt
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Sulfo-EGS
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Ethylene glycol disuccinate bis(sulfo-N-succinimidyl) ester sodium salt
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CAS Number
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MDL Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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-1.8451115
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H Acceptors
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14
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H Donor
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0
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LogD (pH = 5.5)
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-8.091091
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LogD (pH = 7.4)
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-8.091512
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Log P
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-3.3383067
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Molar Refractivity
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113.467 cm3
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Polarizability
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48.32604 Å3
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Polar Surface Area
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294.36 Å2
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Rotatable Bonds
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17
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Lipinski's Rule of Five
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false
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DETAILS
DETAILS
Sigma Aldrich
PATENTS
PATENTS
PubChem Patent
Google Patent