(3-amino-2-hydroxy-3-oxopropyl)phosphonic acid;14-methylpentadecanoic acid

C19H40NO7P — CID 172699305

IUPAC(3-amino-2-hydroxy-3-oxopropyl)phosphonic acid;14-methylpentadecanoic acid
SMILESCC(C)CCCCCCCCCCCCC(=O)O.NC(=O)C(O)CP(=O)(O)O
InChIInChI=1S/C16H32O2.C3H8NO5P/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18;4-3(6)2(5)1-10(7,8)9/h15H,3-14H2,1-2H3,(H,17,18);2,5H,1H2,(H2,4,6)(H2,7,8,9)
InChIKeyCTASJLHPHUNSPP-UHFFFAOYSA-N
MW425.50 g/mol
LogP3.42
Rot. Bonds16

About (3-amino-2-hydroxy-3-oxopropyl)phosphonic acid;14-methylpentadecanoic acid

(3-amino-2-hydroxy-3-oxopropyl)phosphonic acid;14-methylpentadecanoic acid (PubChem CID 172699305) has the molecular formula C19H40NO7P and a molecular weight of 425.50 g/mol. Its IUPAC name is (3-amino-2-hydroxy-3-oxopropyl)phosphonic acid;14-methylpentadecanoic acid.

Molecular Properties

Compound Name(3-amino-2-hydroxy-3-oxopropyl)phosphonic acid;14-methylpentadecanoic acid
PubChem CID172699305
Molecular FormulaC19H40NO7P
Molecular Weight425.50 g/mol
Exact Mass425.25
IUPAC Name(3-amino-2-hydroxy-3-oxopropyl)phosphonic acid;14-methylpentadecanoic acid
SMILESCC(C)CCCCCCCCCCCCC(=O)O.NC(=O)C(O)CP(=O)(O)O
InChIInChI=1S/C16H32O2.C3H8NO5P/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18;4-3(6)2(5)1-10(7,8)9/h15H,3-14H2,1-2H3,(H,17,18);2,5H,1H2,(H2,4,6)(H2,7,8,9)
InChIKeyCTASJLHPHUNSPP-UHFFFAOYSA-N
XLogP3.42
TPSA158.15 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 130194142
(3-amino-2-hydroxy-3-oxopropyl)phosphonic acid;4-methylnonanoic acid
CID 172807423
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CID 87200881
8-methylnonanoic acid;zinc
CID 175431403
azane;16-methylheptadecanoic acid
CID 161380406
copper;6-methylheptanoic acid;7-methyloctanoic acid
CID 170842842
iron;6-methylheptanoic acid;7-methyloctanoic acid
CID 56844011
8-amino-7-(phosphonomethyl)nonanoic acid
CID 100975380
λ2-plumbane;6-methylheptanoic acid
CID 175289081
gadolinium;tris(6-methylheptanoic acid)
CID 176895771
6-methylheptanoic acid;vanadium
CID 174623955
12,17-dimethyloctadecanoic acid
CID 123475021

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-hydroxy-3-oxopropyl)phosphonic acid;14-methylpentadecanoic acid?
The IUPAC name of (3-amino-2-hydroxy-3-oxopropyl)phosphonic acid;14-methylpentadecanoic acid (CID 172699305) is (3-amino-2-hydroxy-3-oxopropyl)phosphonic acid;14-methylpentadecanoic acid.
What is the SMILES notation for (3-amino-2-hydroxy-3-oxopropyl)phosphonic acid;14-methylpentadecanoic acid?
The canonical SMILES for (3-amino-2-hydroxy-3-oxopropyl)phosphonic acid;14-methylpentadecanoic acid is CC(C)CCCCCCCCCCCCC(=O)O.NC(=O)C(O)CP(=O)(O)O.
What is the InChIKey of (3-amino-2-hydroxy-3-oxopropyl)phosphonic acid;14-methylpentadecanoic acid?
The InChIKey is CTASJLHPHUNSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2.C3H8NO5P/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18;4-3(6)2(5)1-10(7,8)9/h15H,3-14H2,1-2H3,(H,17,18);2,5H,1H2,(H2,4,6)(H2,7,8,9).
What are the key properties of (3-amino-2-hydroxy-3-oxopropyl)phosphonic acid;14-methylpentadecanoic acid?
(3-amino-2-hydroxy-3-oxopropyl)phosphonic acid;14-methylpentadecanoic acid has a molecular weight of 425.50 g/mol, XLogP of 3.42, 16 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-hydroxy-3-oxopropyl)phosphonic acid;14-methylpentadecanoic acid is sourced from PubChem (CID 172699305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).