(2R,4R,6S)-2,4-dihydroxy-6-[(1R)-1-hydroxy-2-phosphonooxyethyl]oxane-2-carboxylic acid

C8H15O10P — CID 102014647

IUPAC(2R,4R,6S)-2,4-dihydroxy-6-[(1R)-1-hydroxy-2-phosphonooxyethyl]oxane-2-carboxylic acid
SMILESO=C(O)[C@@]1(O)C[C@H](O)C[C@@H]([C@H](O)COP(=O)(O)O)O1
InChIInChI=1S/C8H15O10P/c9-4-1-6(5(10)3-17-19(14,15)16)18-8(13,2-4)7(11)12/h4-6,9-10,13H,1-3H2,(H,11,12)(H2,14,15,16)/t4-,5-,6+,8-/m1/s1
InChIKeyAIPSXSAMWIQYBR-MNCSTQPFSA-N
MW302.17 g/mol
LogP-2.23
Rot. Bonds5

About (2R,4R,6S)-2,4-dihydroxy-6-[(1R)-1-hydroxy-2-phosphonooxyethyl]oxane-2-carboxylic acid

(2R,4R,6S)-2,4-dihydroxy-6-[(1R)-1-hydroxy-2-phosphonooxyethyl]oxane-2-carboxylic acid (PubChem CID 102014647) has the molecular formula C8H15O10P and a molecular weight of 302.17 g/mol. Its IUPAC name is (2R,4R,6S)-2,4-dihydroxy-6-[(1R)-1-hydroxy-2-phosphonooxyethyl]oxane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R,6S)-2,4-dihydroxy-6-[(1R)-1-hydroxy-2-phosphonooxyethyl]oxane-2-carboxylic acid
PubChem CID102014647
Molecular FormulaC8H15O10P
Molecular Weight302.17 g/mol
Exact Mass302.04
IUPAC Name(2R,4R,6S)-2,4-dihydroxy-6-[(1R)-1-hydroxy-2-phosphonooxyethyl]oxane-2-carboxylic acid
SMILESO=C(O)[C@@]1(O)C[C@H](O)C[C@@H]([C@H](O)COP(=O)(O)O)O1
InChIInChI=1S/C8H15O10P/c9-4-1-6(5(10)3-17-19(14,15)16)18-8(13,2-4)7(11)12/h4-6,9-10,13H,1-3H2,(H,11,12)(H2,14,15,16)/t4-,5-,6+,8-/m1/s1
InChIKeyAIPSXSAMWIQYBR-MNCSTQPFSA-N
XLogP-2.23
TPSA173.98 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.17
LogP ≤ 5-2.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 153406580
(2R,4S,5R,6R)-5-acetamido-6-[(1S,2R)-1,2-dihydroxy-3-phosphonooxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid
CID 165361793
(2S,4S,5R,6R)-5-acetamido-6-[(1R,2R)-1,2-dihydroxy-3-phosphonooxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid
CID 18665396
2,4,5-trihydroxy-6-(phosphonooxymethyl)oxane-2-carboxylic acid
CID 14380869
[(2R)-2-hydroxy-2-[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxy-6-methyloxan-2-yl]ethyl] dihydrogen phosphate
CID 57343992
[(2R,3R)-5-carboxy-3,5-dihydroxyoxolan-2-yl]methyl phosphate
CID 135070307
3-hydroxy-2-oxo-4-phosphonooxybutanoic acid
CID 113
(2R,4R)-6-(1,2-dihydroxyethyl)-2,4,5-trihydroxyoxane-2-carboxylic acid
CID 174067243
(4R,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-2,4,5-trihydroxyoxane-2-carboxylic acid
CID 155539835
(6R)-6-(dipropylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid
CID 102294313
[(2R,3R,4S)-2,3,4-trihydroxy-4-(oxiran-2-yl)butyl] dihydrogen phosphate
CID 10681714
(3S,4S,5R)-2,3,4-trihydroxy-5-(phosphonooxymethyl)oxolane-2-carboxylic acid
CID 56627390

Frequently Asked Questions

What is the IUPAC name of (2R,4R,6S)-2,4-dihydroxy-6-[(1R)-1-hydroxy-2-phosphonooxyethyl]oxane-2-carboxylic acid?
The IUPAC name of (2R,4R,6S)-2,4-dihydroxy-6-[(1R)-1-hydroxy-2-phosphonooxyethyl]oxane-2-carboxylic acid (CID 102014647) is (2R,4R,6S)-2,4-dihydroxy-6-[(1R)-1-hydroxy-2-phosphonooxyethyl]oxane-2-carboxylic acid.
What is the SMILES notation for (2R,4R,6S)-2,4-dihydroxy-6-[(1R)-1-hydroxy-2-phosphonooxyethyl]oxane-2-carboxylic acid?
The canonical SMILES for (2R,4R,6S)-2,4-dihydroxy-6-[(1R)-1-hydroxy-2-phosphonooxyethyl]oxane-2-carboxylic acid is O=C(O)[C@@]1(O)C[C@H](O)C[C@@H]([C@H](O)COP(=O)(O)O)O1.
What is the InChIKey of (2R,4R,6S)-2,4-dihydroxy-6-[(1R)-1-hydroxy-2-phosphonooxyethyl]oxane-2-carboxylic acid?
The InChIKey is AIPSXSAMWIQYBR-MNCSTQPFSA-N. The full InChI is InChI=1S/C8H15O10P/c9-4-1-6(5(10)3-17-19(14,15)16)18-8(13,2-4)7(11)12/h4-6,9-10,13H,1-3H2,(H,11,12)(H2,14,15,16)/t4-,5-,6+,8-/m1/s1.
What are the key properties of (2R,4R,6S)-2,4-dihydroxy-6-[(1R)-1-hydroxy-2-phosphonooxyethyl]oxane-2-carboxylic acid?
(2R,4R,6S)-2,4-dihydroxy-6-[(1R)-1-hydroxy-2-phosphonooxyethyl]oxane-2-carboxylic acid has a molecular weight of 302.17 g/mol, XLogP of -2.23, 5 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,6S)-2,4-dihydroxy-6-[(1R)-1-hydroxy-2-phosphonooxyethyl]oxane-2-carboxylic acid is sourced from PubChem (CID 102014647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).