19-[6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-[(6-amino-2-methylhexanoyl)amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]oxynonadecanoic acid

C50H99N9O8 — CID 59741840

IUPAC19-[6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-[(6-amino-2-methylhexanoyl)amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]oxynonadecanoic acid
SMILESCC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)OCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C50H99N9O8/c1-40(28-17-22-34-51)46(62)56-41(29-18-23-35-52)47(63)57-42(30-19-24-36-53)48(64)58-43(31-20-25-37-54)49(65)59-44(32-21-26-38-55)50(66)67-39-27-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-33-45(60)61/h40-44H,2-39,51-55H2,1H3,(H,56,62)(H,57,63)(H,58,64)(H,59,65)(H,60,61)
InChIKeyBZPIWHWZSMPUHW-UHFFFAOYSA-N
MW954.40 g/mol
LogP5.47
Rot. Bonds48

About 19-[6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-[(6-amino-2-methylhexanoyl)amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]oxynonadecanoic acid

19-[6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-[(6-amino-2-methylhexanoyl)amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]oxynonadecanoic acid (PubChem CID 59741840) has the molecular formula C50H99N9O8 and a molecular weight of 954.40 g/mol. Its IUPAC name is 19-[6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-[(6-amino-2-methylhexanoyl)amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]oxynonadecanoic acid.

Molecular Properties

Compound Name19-[6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-[(6-amino-2-methylhexanoyl)amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]oxynonadecanoic acid
PubChem CID59741840
Molecular FormulaC50H99N9O8
Molecular Weight954.40 g/mol
Exact Mass953.76
IUPAC Name19-[6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-[(6-amino-2-methylhexanoyl)amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]oxynonadecanoic acid
SMILESCC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)OCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C50H99N9O8/c1-40(28-17-22-34-51)46(62)56-41(29-18-23-35-52)47(63)57-42(30-19-24-36-53)48(64)58-43(31-20-25-37-54)49(65)59-44(32-21-26-38-55)50(66)67-39-27-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-33-45(60)61/h40-44H,2-39,51-55H2,1H3,(H,56,62)(H,57,63)(H,58,64)(H,59,65)(H,60,61)
InChIKeyBZPIWHWZSMPUHW-UHFFFAOYSA-N
XLogP5.47
TPSA310.10 Ų
H-Bond Donors10
H-Bond Acceptors12
Rotatable Bonds48
Heavy Atoms67
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500954.40
LogP ≤ 55.47
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 19-[6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-[(6-amino-2-methylhexanoyl)amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]oxynonadecanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 19-[6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-[(6-amino-2-methylhexanoyl)amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]oxynonadecanoic acid?
The IUPAC name of 19-[6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-[(6-amino-2-methylhexanoyl)amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]oxynonadecanoic acid (CID 59741840) is 19-[6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-[(6-amino-2-methylhexanoyl)amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]oxynonadecanoic acid.
What is the SMILES notation for 19-[6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-[(6-amino-2-methylhexanoyl)amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]oxynonadecanoic acid?
The canonical SMILES for 19-[6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-[(6-amino-2-methylhexanoyl)amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]oxynonadecanoic acid is CC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)OCCCCCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 19-[6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-[(6-amino-2-methylhexanoyl)amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]oxynonadecanoic acid?
The InChIKey is BZPIWHWZSMPUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H99N9O8/c1-40(28-17-22-34-51)46(62)56-41(29-18-23-35-52)47(63)57-42(30-19-24-36-53)48(64)58-43(31-20-25-37-54)49(65)59-44(32-21-26-38-55)50(66)67-39-27-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-33-45(60)61/h40-44H,2-39,51-55H2,1H3,(H,56,62)(H,57,63)(H,58,64)(H,59,65)(H,60,61).
What are the key properties of 19-[6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-[(6-amino-2-methylhexanoyl)amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]oxynonadecanoic acid?
19-[6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-[(6-amino-2-methylhexanoyl)amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]oxynonadecanoic acid has a molecular weight of 954.40 g/mol, XLogP of 5.47, 48 rotatable bonds, 10 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 19-[6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-[(6-amino-2-methylhexanoyl)amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]oxynonadecanoic acid is sourced from PubChem (CID 59741840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).