[(2S,3R,4S,5R)-2-acetamido-3,4,5,6-tetrahydroxyhexanoyl]phosphonic acid

C8H16NO9P — CID 174741301

IUPAC[(2S,3R,4S,5R)-2-acetamido-3,4,5,6-tetrahydroxyhexanoyl]phosphonic acid
SMILESCC(=O)N[C@H](C(=O)P(=O)(O)O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C8H16NO9P/c1-3(11)9-5(8(15)19(16,17)18)7(14)6(13)4(12)2-10/h4-7,10,12-14H,2H2,1H3,(H,9,11)(H2,16,17,18)/t4-,5+,6-,7-/m1/s1
InChIKeyLFSVWXRIWDFQCJ-XZBKPIIZSA-N
MW301.19 g/mol
LogP-3.73
Rot. Bonds7

About [(2S,3R,4S,5R)-2-acetamido-3,4,5,6-tetrahydroxyhexanoyl]phosphonic acid

[(2S,3R,4S,5R)-2-acetamido-3,4,5,6-tetrahydroxyhexanoyl]phosphonic acid (PubChem CID 174741301) has the molecular formula C8H16NO9P and a molecular weight of 301.19 g/mol. Its IUPAC name is [(2S,3R,4S,5R)-2-acetamido-3,4,5,6-tetrahydroxyhexanoyl]phosphonic acid.

Molecular Properties

Compound Name[(2S,3R,4S,5R)-2-acetamido-3,4,5,6-tetrahydroxyhexanoyl]phosphonic acid
PubChem CID174741301
Molecular FormulaC8H16NO9P
Molecular Weight301.19 g/mol
Exact Mass301.06
IUPAC Name[(2S,3R,4S,5R)-2-acetamido-3,4,5,6-tetrahydroxyhexanoyl]phosphonic acid
SMILESCC(=O)N[C@H](C(=O)P(=O)(O)O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C8H16NO9P/c1-3(11)9-5(8(15)19(16,17)18)7(14)6(13)4(12)2-10/h4-7,10,12-14H,2H2,1H3,(H,9,11)(H2,16,17,18)/t4-,5+,6-,7-/m1/s1
InChIKeyLFSVWXRIWDFQCJ-XZBKPIIZSA-N
XLogP-3.73
TPSA184.62 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.19
LogP ≤ 5-3.73
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(2S,3R,4S,5R)-2-acetamido-3,4,5,6-tetrahydroxyhexanoyl]phosphonic 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

N-[(4R,5R,6S)-5,6,7,8-tetrahydroxy-2,3-dioxooctan-4-yl]acetamide
CID 171378058
sulfo (2S,3R,4S,5R)-2-acetamido-3,4,5,6-tetrahydroxyhexanoate
CID 90098083
N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide;N-[(2R,3R,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide
CID 87346287
N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide
CID 87277694
acetic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 155668282
N-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide;hydrate
CID 22868018
(3S,4S,5R,6S,7R)-4-acetamido-3,5,6,7,8-pentahydroxyoctanoic acid
CID 101270334
(2R,3S,4R,5R)-N-acetyl-2,3,4,5,6-pentahydroxyhexanamide;phosphono dihydrogen phosphate
CID 158104006
N-[(2R,3S,4S,5S)-3,4,5,6-tetrahydroxy-1-nitrohexan-2-yl]acetamide
CID 125027865
CID 158428296
CID 158428296
copper;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;diacetate
CID 159153251
(2S,4S,5R,6R,7R,8R)-5-acetamido-2,4,6,7,8,9-hexahydroxynonanoic acid
CID 15548827

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4S,5R)-2-acetamido-3,4,5,6-tetrahydroxyhexanoyl]phosphonic acid?
The IUPAC name of [(2S,3R,4S,5R)-2-acetamido-3,4,5,6-tetrahydroxyhexanoyl]phosphonic acid (CID 174741301) is [(2S,3R,4S,5R)-2-acetamido-3,4,5,6-tetrahydroxyhexanoyl]phosphonic acid.
What is the SMILES notation for [(2S,3R,4S,5R)-2-acetamido-3,4,5,6-tetrahydroxyhexanoyl]phosphonic acid?
The canonical SMILES for [(2S,3R,4S,5R)-2-acetamido-3,4,5,6-tetrahydroxyhexanoyl]phosphonic acid is CC(=O)N[C@H](C(=O)P(=O)(O)O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of [(2S,3R,4S,5R)-2-acetamido-3,4,5,6-tetrahydroxyhexanoyl]phosphonic acid?
The InChIKey is LFSVWXRIWDFQCJ-XZBKPIIZSA-N. The full InChI is InChI=1S/C8H16NO9P/c1-3(11)9-5(8(15)19(16,17)18)7(14)6(13)4(12)2-10/h4-7,10,12-14H,2H2,1H3,(H,9,11)(H2,16,17,18)/t4-,5+,6-,7-/m1/s1.
What are the key properties of [(2S,3R,4S,5R)-2-acetamido-3,4,5,6-tetrahydroxyhexanoyl]phosphonic acid?
[(2S,3R,4S,5R)-2-acetamido-3,4,5,6-tetrahydroxyhexanoyl]phosphonic acid has a molecular weight of 301.19 g/mol, XLogP of -3.73, 7 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4S,5R)-2-acetamido-3,4,5,6-tetrahydroxyhexanoyl]phosphonic acid is sourced from PubChem (CID 174741301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).