2-[({5-[1-(3-{[bis(carboxymethyl)amino]methyl}-4-hydroxyphenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-2-hydroxyphenyl}methyl)(carboxymethyl)amino]acetic acid | C30H28N2O12 | OC(=O)CN(CC(O)=O)CC1=CC(=CC=C1O)C1(OC(=O)C2=CC=CC=C12)C1=CC=C(O)C(CN(CC(O)=O)CC(O)=O)=C1 | 25296-54-2, ACM25296542, CSC132303707, LN00227102 | Chemspace

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Home CSCS00132303707

Structure Info

Chemspace ID: CSCS00132303707 (Synthesis)

IUPAC Name: 2-[({5-[1-(3-{[bis(carboxymethyl)amino]methyl}-4-hydroxyphenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-2-hydroxyphenyl}methyl)(carboxymethyl)amino]acetic acid

Mol formula: C₃₀H₂₈N₂O₁₂

Mol weight: 609 Da

Catalog Number(s): 25296-54-2, ACM25296542, CSC132303707, LN00227102

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Properties
SDS

Properties

LogP: -3.72

Heavy atoms count: 44

Rotatable bond count: 14

Number of rings: 4

Carbon bond saturation, Fsp3: 0.23333333333333

Polar surface area (Å): 222

Hydrogen bond acceptors count: 13

Hydrogen bond donors count: 6

: Zoom the structure; CSCS00132303707

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Description: CAS: 25296-54-2
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Description: CAS: 25296-54-2

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