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2-Amino-2-(hydroxymethyl)propane-1,3-diol;2-(2-(bis(carboxymethyl)amino)ethyl-(carboxymethyl)amino)acetic acid;boric acid

CAS: 610769-35-2
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610769-35-2

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1 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;boric acid
2 DTXSID90611705
3 2-Amino-2-(hydroxymethyl)propane-1,3-diol;2-(2-(bis(carboxymethyl)amino)ethyl-(carboxymethyl)amino)acetic acid;boric acid
4 RefChem:1062133
5 DTXCID90562460

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Molecular Formula C14H30BN3O14
Canonical SMILES
Isomeric SMILES
Molecular Weight 475.2100
InChIKey OSBLTNPMIGYQGY-UHFFFAOYSA-N
InChI InChI=1S/C10H16N2O8.C4H11NO3.BH3O3/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;5-4(1-6,2-7)3-8;2-1(3)4/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);6-8H,1-3,5H2;2-4H
XLogP 0.0000
ExactMass 475.1821
MonoisotopicMass 475.1821
TPSA 303.0000
Complexity 377.0000
Charge 0.0000
HBondDonorCount 11
HBondAcceptorCount 17
RotatableBondCount 14
HeavyAtomCount 32
IsotopeAtomCount 0
AtomStereoCount 0
DefinedAtomStereoCount 0
UndefinedAtomStereoCount 0
BondStereoCount 0
DefinedBondStereoCount 0
UndefinedBondStereoCount 0
CovalentUnitCount 3
PatentCount 23103
PatentFamilyCount 9633
LiteratureCount 22