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3-[2-(6-azidohexanamido)-3-(2-carboxyethoxy)-2-[(2-carboxyethoxy)methyl]propoxy]propanoic acid

3-[2-(6-azidohexanamido)-3-(2-carboxyethoxy)-2-[(2-carboxyethoxy)methyl]propoxy]propanoic acid

CAS: 2171072-74-3

Formula: C19H32N4O10

SMILES: OC(=O)CCOCC(COCCC(O)=O)(COCCC(O)=O)NC(=O)CCCCCN=[N+]=[N-]

IUPAC: 3-[2-(6-azidohexanamido)-3-(2-carboxyethoxy)-2-[(2-carboxyethoxy)methyl]propoxy]propanoic acid

InChI: InChI=1S/C19H32N4O10/c20-23-21-8-3-1-2-4-15(24)22-19(12-31-9-5-16(25)26,13-32-10-6-17(27)28)14-33-11-7-18(29)30/h1-14H2,(H,22,24)(H,25,26)(H,27,28)(H,29,30)

Composition: C (47.89%), H (6.77%), N (11.76%), O (33.58%)

Molar Mass: 476.483

Atom Count: 65

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 476.211843246
Formal Charge 0
FSP3 0.79
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 12
Hydrogen Bond Donor Count 4
InChIKey RESXXMWTOMTQGY-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 111.06
Topological Polar Surface Area 198.12
Polarizability 43.24
Ring Count 0
Rotatable Bond Count 22

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Purity (%)
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Ships Within
Days
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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 2171072-74-3 $926.10-$1,701.00$926.10$1,701.00
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