[hydroxy-[(2S,3S,4S)-3,4,5-trihydroxyoxolan-2-yl]methyl]-trioxidophosphanium

C5H9O8P-2 — CID 102233403

IUPAC[hydroxy-[(2S,3S,4S)-3,4,5-trihydroxyoxolan-2-yl]methyl]-trioxidophosphanium
SMILES[O-][P+]([O-])([O-])C(O)[C@H]1OC(O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C5H11O8P/c6-1-2(7)4(8)13-3(1)5(9)14(10,11)12/h1-9H,(H2,10,11,12)/p-2/t1-,2-,3-,4?,5?/m0/s1
InChIKeyHUUKSVAGWXODPD-IQJZEPRVSA-L
MW228.09 g/mol
LogP-5.41
Rot. Bonds2

About [hydroxy-[(2S,3S,4S)-3,4,5-trihydroxyoxolan-2-yl]methyl]-trioxidophosphanium

[hydroxy-[(2S,3S,4S)-3,4,5-trihydroxyoxolan-2-yl]methyl]-trioxidophosphanium (PubChem CID 102233403) has the molecular formula C5H9O8P-2 and a molecular weight of 228.09 g/mol. Its IUPAC name is [hydroxy-[(2S,3S,4S)-3,4,5-trihydroxyoxolan-2-yl]methyl]-trioxidophosphanium.

Molecular Properties

Compound Name[hydroxy-[(2S,3S,4S)-3,4,5-trihydroxyoxolan-2-yl]methyl]-trioxidophosphanium
PubChem CID102233403
Molecular FormulaC5H9O8P-2
Molecular Weight228.09 g/mol
Exact Mass228.00
IUPAC Name[hydroxy-[(2S,3S,4S)-3,4,5-trihydroxyoxolan-2-yl]methyl]-trioxidophosphanium
SMILES[O-][P+]([O-])([O-])C(O)[C@H]1OC(O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C5H11O8P/c6-1-2(7)4(8)13-3(1)5(9)14(10,11)12/h1-9H,(H2,10,11,12)/p-2/t1-,2-,3-,4?,5?/m0/s1
InChIKeyHUUKSVAGWXODPD-IQJZEPRVSA-L
XLogP-5.41
TPSA159.33 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 5-5.41
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,5R)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol
CID 22885266
(3S,4R,5R)-5-[(1R,2R)-1,2,3-trihydroxypropyl]oxolane-2,3,4-triol
CID 67823819
(2R)-5-(1,2,3-trihydroxypropyl)oxolane-2,3,4-triol
CID 22887183
(3R,4S,5R)-5-[(1R,2R)-1,2,3-trihydroxypropyl]oxolane-2,3,4-triol
CID 67824107
(3R,4S,5R,6S)-6-[amino(hydroxy)methyl]oxane-2,3,4,5-tetrol
CID 67877059
6-[fluoro(hydroxy)methyl]oxane-2,3,4,5-tetrol
CID 67723200
actinium;(2R,4R,5S)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol
CID 58666535
(2S,3S,4S,5S,6R)-6-(1,2,3-trihydroxypropyl)oxane-2,3,4,5-tetrol
CID 70476129
(3S,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
CID 15560232
(3R,4R,5R)-5-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
CID 15560221
(2R,5S)-5-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
CID 137349473
(2S,3S,4S,5S)-5-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
CID 67949243

Frequently Asked Questions

What is the IUPAC name of [hydroxy-[(2S,3S,4S)-3,4,5-trihydroxyoxolan-2-yl]methyl]-trioxidophosphanium?
The IUPAC name of [hydroxy-[(2S,3S,4S)-3,4,5-trihydroxyoxolan-2-yl]methyl]-trioxidophosphanium (CID 102233403) is [hydroxy-[(2S,3S,4S)-3,4,5-trihydroxyoxolan-2-yl]methyl]-trioxidophosphanium.
What is the SMILES notation for [hydroxy-[(2S,3S,4S)-3,4,5-trihydroxyoxolan-2-yl]methyl]-trioxidophosphanium?
The canonical SMILES for [hydroxy-[(2S,3S,4S)-3,4,5-trihydroxyoxolan-2-yl]methyl]-trioxidophosphanium is [O-][P+]([O-])([O-])C(O)[C@H]1OC(O)[C@@H](O)[C@@H]1O.
What is the InChIKey of [hydroxy-[(2S,3S,4S)-3,4,5-trihydroxyoxolan-2-yl]methyl]-trioxidophosphanium?
The InChIKey is HUUKSVAGWXODPD-IQJZEPRVSA-L. The full InChI is InChI=1S/C5H11O8P/c6-1-2(7)4(8)13-3(1)5(9)14(10,11)12/h1-9H,(H2,10,11,12)/p-2/t1-,2-,3-,4?,5?/m0/s1.
What are the key properties of [hydroxy-[(2S,3S,4S)-3,4,5-trihydroxyoxolan-2-yl]methyl]-trioxidophosphanium?
[hydroxy-[(2S,3S,4S)-3,4,5-trihydroxyoxolan-2-yl]methyl]-trioxidophosphanium has a molecular weight of 228.09 g/mol, XLogP of -5.41, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy-[(2S,3S,4S)-3,4,5-trihydroxyoxolan-2-yl]methyl]-trioxidophosphanium is sourced from PubChem (CID 102233403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).