2-thiophosphoroso-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

C8H14NO6PS — CID 71199540

IUPAC2-thiophosphoroso-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESO=C(CP=S)NC1C(O)OC(CO)C(O)C1O
InChIInChI=1S/C8H14NO6PS/c10-1-3-6(12)7(13)5(8(14)15-3)9-4(11)2-16-17/h3,5-8,10,12-14H,1-2H2,(H,9,11)
InChIKeyAWLLRGZDNRPHEA-UHFFFAOYSA-N
MW283.24 g/mol
LogP-2.69
Rot. Bonds4

About 2-thiophosphoroso-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

2-thiophosphoroso-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 71199540) has the molecular formula C8H14NO6PS and a molecular weight of 283.24 g/mol. Its IUPAC name is 2-thiophosphoroso-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound Name2-thiophosphoroso-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
PubChem CID71199540
Molecular FormulaC8H14NO6PS
Molecular Weight283.24 g/mol
Exact Mass283.03
IUPAC Name2-thiophosphoroso-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESO=C(CP=S)NC1C(O)OC(CO)C(O)C1O
InChIInChI=1S/C8H14NO6PS/c10-1-3-6(12)7(13)5(8(14)15-3)9-4(11)2-16-17/h3,5-8,10,12-14H,1-2H2,(H,9,11)
InChIKeyAWLLRGZDNRPHEA-UHFFFAOYSA-N
XLogP-2.69
TPSA119.25 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 5-2.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[(3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 102170219
2-sulfanyl-N-[(2S,3R,4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 123446694
N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide
CID 122492503
2-sulfanyl-N-[(3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 138986916
2-fluoro-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 12896786
N-[(3S,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide
CID 11845328
N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide;hydrochloride
CID 132775552
N-[(5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
CID 71235358
N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
CID 90352171
N-[(2R,4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
CID 58852887
2-methoxy-N-[(4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 90352180
4-oxo-N-[(2R,4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pentanamide
CID 91483902

Frequently Asked Questions

What is the IUPAC name of 2-thiophosphoroso-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The IUPAC name of 2-thiophosphoroso-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 71199540) is 2-thiophosphoroso-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for 2-thiophosphoroso-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for 2-thiophosphoroso-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is O=C(CP=S)NC1C(O)OC(CO)C(O)C1O.
What is the InChIKey of 2-thiophosphoroso-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The InChIKey is AWLLRGZDNRPHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14NO6PS/c10-1-3-6(12)7(13)5(8(14)15-3)9-4(11)2-16-17/h3,5-8,10,12-14H,1-2H2,(H,9,11).
What are the key properties of 2-thiophosphoroso-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
2-thiophosphoroso-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 283.24 g/mol, XLogP of -2.69, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophosphoroso-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 71199540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).