2-amino-7-[hydroxy(sulfanyloxy)phosphoryl]heptanoic acid

C7H16NO5PS — CID 87771343

IUPAC2-amino-7-[hydroxy(sulfanyloxy)phosphoryl]heptanoic acid
SMILESNC(CCCCCP(=O)(O)OS)C(=O)O
InChIInChI=1S/C7H16NO5PS/c8-6(7(9)10)4-2-1-3-5-14(11,12)13-15/h6,15H,1-5,8H2,(H,9,10)(H,11,12)
InChIKeyZXEXLXDTGGRYOZ-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.01
Rot. Bonds8

About 2-amino-7-[hydroxy(sulfanyloxy)phosphoryl]heptanoic acid

2-amino-7-[hydroxy(sulfanyloxy)phosphoryl]heptanoic acid (PubChem CID 87771343) has the molecular formula C7H16NO5PS and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-amino-7-[hydroxy(sulfanyloxy)phosphoryl]heptanoic acid.

Molecular Properties

Compound Name2-amino-7-[hydroxy(sulfanyloxy)phosphoryl]heptanoic acid
PubChem CID87771343
Molecular FormulaC7H16NO5PS
Molecular Weight257.25 g/mol
Exact Mass257.05
IUPAC Name2-amino-7-[hydroxy(sulfanyloxy)phosphoryl]heptanoic acid
SMILESNC(CCCCCP(=O)(O)OS)C(=O)O
InChIInChI=1S/C7H16NO5PS/c8-6(7(9)10)4-2-1-3-5-14(11,12)13-15/h6,15H,1-5,8H2,(H,9,10)(H,11,12)
InChIKeyZXEXLXDTGGRYOZ-UHFFFAOYSA-N
XLogP1.01
TPSA109.85 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-amino-7-[hydroxy(sulfanyloxy)phosphoryl]heptanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
2-amino-5-[hydroxy(methoxy)phosphoryl]pentanoic acid
CID 118218579
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
2-amino-7-sulfanylheptanoic acid
CID 56957911
2,10,10-triaminodecanoic acid
CID 141091504
[(4R)-4-amino-4-carboxybutyl]-hydroxyphosphinate
CID 24794417
2,6-diaminoheptanedioic acid
CID 865
potassium;2,6-diaminohexanoic acid;hydride;phosphoric acid
CID 173459851
(2S)-2,7-diamino-7-oxoheptanoic acid
CID 88911267
2,13-diaminotridecanoic acid
CID 141414897
(2S)-2,6-diaminohexanoic acid;pentane-1,5-diamine
CID 87328180
(2S)-2,6-diaminohexanoic acid;phosphonomethylphosphonic acid
CID 173046070

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[hydroxy(sulfanyloxy)phosphoryl]heptanoic acid?
The IUPAC name of 2-amino-7-[hydroxy(sulfanyloxy)phosphoryl]heptanoic acid (CID 87771343) is 2-amino-7-[hydroxy(sulfanyloxy)phosphoryl]heptanoic acid.
What is the SMILES notation for 2-amino-7-[hydroxy(sulfanyloxy)phosphoryl]heptanoic acid?
The canonical SMILES for 2-amino-7-[hydroxy(sulfanyloxy)phosphoryl]heptanoic acid is NC(CCCCCP(=O)(O)OS)C(=O)O.
What is the InChIKey of 2-amino-7-[hydroxy(sulfanyloxy)phosphoryl]heptanoic acid?
The InChIKey is ZXEXLXDTGGRYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO5PS/c8-6(7(9)10)4-2-1-3-5-14(11,12)13-15/h6,15H,1-5,8H2,(H,9,10)(H,11,12).
What are the key properties of 2-amino-7-[hydroxy(sulfanyloxy)phosphoryl]heptanoic acid?
2-amino-7-[hydroxy(sulfanyloxy)phosphoryl]heptanoic acid has a molecular weight of 257.25 g/mol, XLogP of 1.01, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[hydroxy(sulfanyloxy)phosphoryl]heptanoic acid is sourced from PubChem (CID 87771343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).