[(2S,4S,5S)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-hydroxy-oxophosphanium

C7H14O9P+ — CID 175617994

IUPAC[(2S,4S,5S)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-hydroxy-oxophosphanium
SMILESO=[P+](O)O[C@@H]1OC([C@H](O)CO)[C@@H](O)[C@H](O)C1O
InChIInChI=1S/C7H13O9P/c8-1-2(9)6-4(11)3(10)5(12)7(15-6)16-17(13)14/h2-12H,1H2/p+1/t2-,3+,4+,5?,6?,7+/m1/s1
InChIKeyMSZNJZQOSVIBMW-PZQFTHSJSA-O
MW273.15 g/mol
LogP-3.19
Rot. Bonds4

About [(2S,4S,5S)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-hydroxy-oxophosphanium

[(2S,4S,5S)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-hydroxy-oxophosphanium (PubChem CID 175617994) has the molecular formula C7H14O9P+ and a molecular weight of 273.15 g/mol. Its IUPAC name is [(2S,4S,5S)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[(2S,4S,5S)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-hydroxy-oxophosphanium
PubChem CID175617994
Molecular FormulaC7H14O9P+
Molecular Weight273.15 g/mol
Exact Mass273.04
IUPAC Name[(2S,4S,5S)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-hydroxy-oxophosphanium
SMILESO=[P+](O)O[C@@H]1OC([C@H](O)CO)[C@@H](O)[C@H](O)C1O
InChIInChI=1S/C7H13O9P/c8-1-2(9)6-4(11)3(10)5(12)7(15-6)16-17(13)14/h2-12H,1H2/p+1/t2-,3+,4+,5?,6?,7+/m1/s1
InChIKeyMSZNJZQOSVIBMW-PZQFTHSJSA-O
XLogP-3.19
TPSA156.91 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.15
LogP ≤ 5-3.19
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S,5S)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-hydroxy-oxophosphanium?
The IUPAC name of [(2S,4S,5S)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-hydroxy-oxophosphanium (CID 175617994) is [(2S,4S,5S)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-hydroxy-oxophosphanium.
What is the SMILES notation for [(2S,4S,5S)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-hydroxy-oxophosphanium?
The canonical SMILES for [(2S,4S,5S)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-hydroxy-oxophosphanium is O=[P+](O)O[C@@H]1OC([C@H](O)CO)[C@@H](O)[C@H](O)C1O.
What is the InChIKey of [(2S,4S,5S)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-hydroxy-oxophosphanium?
The InChIKey is MSZNJZQOSVIBMW-PZQFTHSJSA-O. The full InChI is InChI=1S/C7H13O9P/c8-1-2(9)6-4(11)3(10)5(12)7(15-6)16-17(13)14/h2-12H,1H2/p+1/t2-,3+,4+,5?,6?,7+/m1/s1.
What are the key properties of [(2S,4S,5S)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-hydroxy-oxophosphanium?
[(2S,4S,5S)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-hydroxy-oxophosphanium has a molecular weight of 273.15 g/mol, XLogP of -3.19, 4 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S,5S)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-hydroxy-oxophosphanium is sourced from PubChem (CID 175617994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).