trioxido-[[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]phosphanium

C6H11O8P-2 — CID 101185586

IUPACtrioxido-[[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]phosphanium
SMILES[O-][P+]([O-])([O-])C[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H13O8P/c7-3-2(1-15(11,12)13)14-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/p-2/t2-,3-,4+,5-,6?/m1/s1
InChIKeyDZTQILMTTKDVHK-GASJEMHNSA-L
MW242.12 g/mol
LogP-5.37
Rot. Bonds2

About trioxido-[[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]phosphanium

trioxido-[[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]phosphanium (PubChem CID 101185586) has the molecular formula C6H11O8P-2 and a molecular weight of 242.12 g/mol. Its IUPAC name is trioxido-[[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]phosphanium.

Molecular Properties

Compound Nametrioxido-[[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]phosphanium
PubChem CID101185586
Molecular FormulaC6H11O8P-2
Molecular Weight242.12 g/mol
Exact Mass242.02
IUPAC Nametrioxido-[[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]phosphanium
SMILES[O-][P+]([O-])([O-])C[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H13O8P/c7-3-2(1-15(11,12)13)14-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/p-2/t2-,3-,4+,5-,6?/m1/s1
InChIKeyDZTQILMTTKDVHK-GASJEMHNSA-L
XLogP-5.37
TPSA159.33 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 5-5.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4S,5S,6R)-6-(2,2-dihydroxyethyl)oxane-2,3,4,5-tetrol
CID 97302383
(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439
(2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971007
(3R,4S,5S,6R)-6-((15O)oxidanylmethyl)oxane-2,3,4,5-tetrol
CID 11492034
(2S,3S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 125309563
(2R,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)oxane-2,3,4,5-tetrol
CID 11344362
(2S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 156615593
azane;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 70501516
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrobromide
CID 175197027
(2R,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrate
CID 174454865
(3S,4S,5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrochloride
CID 67086676
bismuthane;(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 173193774

Frequently Asked Questions

What is the IUPAC name of trioxido-[[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]phosphanium?
The IUPAC name of trioxido-[[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]phosphanium (CID 101185586) is trioxido-[[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]phosphanium.
What is the SMILES notation for trioxido-[[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]phosphanium?
The canonical SMILES for trioxido-[[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]phosphanium is [O-][P+]([O-])([O-])C[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of trioxido-[[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]phosphanium?
The InChIKey is DZTQILMTTKDVHK-GASJEMHNSA-L. The full InChI is InChI=1S/C6H13O8P/c7-3-2(1-15(11,12)13)14-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/p-2/t2-,3-,4+,5-,6?/m1/s1.
What are the key properties of trioxido-[[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]phosphanium?
trioxido-[[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]phosphanium has a molecular weight of 242.12 g/mol, XLogP of -5.37, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trioxido-[[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]phosphanium is sourced from PubChem (CID 101185586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).