[fluoro-[(2S,3R,4R,5R,6S)-2,3,4,5-tetrahydroxy-6-methyloxan-2-yl]methyl]-trioxidophosphanium

C7H12FO8P-2 — CID 102592891

IUPAC[fluoro-[(2S,3R,4R,5R,6S)-2,3,4,5-tetrahydroxy-6-methyloxan-2-yl]methyl]-trioxidophosphanium
SMILESC[C@@H]1O[C@](O)(C(F)[P+]([O-])([O-])[O-])[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C7H14FO8P/c1-2-3(9)4(10)5(11)7(12,16-2)6(8)17(13,14)15/h2-6,9-12H,1H3,(H2,13,14,15)/p-2/t2-,3-,4+,5+,6?,7-/m0/s1
InChIKeyMZLJULVMXCJTDR-ZRJWCFDSSA-L
MW274.14 g/mol
LogP-4.68
Rot. Bonds2

About [fluoro-[(2S,3R,4R,5R,6S)-2,3,4,5-tetrahydroxy-6-methyloxan-2-yl]methyl]-trioxidophosphanium

[fluoro-[(2S,3R,4R,5R,6S)-2,3,4,5-tetrahydroxy-6-methyloxan-2-yl]methyl]-trioxidophosphanium (PubChem CID 102592891) has the molecular formula C7H12FO8P-2 and a molecular weight of 274.14 g/mol. Its IUPAC name is [fluoro-[(2S,3R,4R,5R,6S)-2,3,4,5-tetrahydroxy-6-methyloxan-2-yl]methyl]-trioxidophosphanium.

Molecular Properties

Compound Name[fluoro-[(2S,3R,4R,5R,6S)-2,3,4,5-tetrahydroxy-6-methyloxan-2-yl]methyl]-trioxidophosphanium
PubChem CID102592891
Molecular FormulaC7H12FO8P-2
Molecular Weight274.14 g/mol
Exact Mass274.03
IUPAC Name[fluoro-[(2S,3R,4R,5R,6S)-2,3,4,5-tetrahydroxy-6-methyloxan-2-yl]methyl]-trioxidophosphanium
SMILESC[C@@H]1O[C@](O)(C(F)[P+]([O-])([O-])[O-])[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C7H14FO8P/c1-2-3(9)4(10)5(11)7(12,16-2)6(8)17(13,14)15/h2-6,9-12H,1H3,(H2,13,14,15)/p-2/t2-,3-,4+,5+,6?,7-/m0/s1
InChIKeyMZLJULVMXCJTDR-ZRJWCFDSSA-L
XLogP-4.68
TPSA159.33 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.14
LogP ≤ 5-4.68
H-Bond Donors ≤ 54
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 [fluoro-[(2S,3R,4R,5R,6S)-2,3,4,5-tetrahydroxy-6-methyloxan-2-yl]methyl]-trioxidophosphanium?
The IUPAC name of [fluoro-[(2S,3R,4R,5R,6S)-2,3,4,5-tetrahydroxy-6-methyloxan-2-yl]methyl]-trioxidophosphanium (CID 102592891) is [fluoro-[(2S,3R,4R,5R,6S)-2,3,4,5-tetrahydroxy-6-methyloxan-2-yl]methyl]-trioxidophosphanium.
What is the SMILES notation for [fluoro-[(2S,3R,4R,5R,6S)-2,3,4,5-tetrahydroxy-6-methyloxan-2-yl]methyl]-trioxidophosphanium?
The canonical SMILES for [fluoro-[(2S,3R,4R,5R,6S)-2,3,4,5-tetrahydroxy-6-methyloxan-2-yl]methyl]-trioxidophosphanium is C[C@@H]1O[C@](O)(C(F)[P+]([O-])([O-])[O-])[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of [fluoro-[(2S,3R,4R,5R,6S)-2,3,4,5-tetrahydroxy-6-methyloxan-2-yl]methyl]-trioxidophosphanium?
The InChIKey is MZLJULVMXCJTDR-ZRJWCFDSSA-L. The full InChI is InChI=1S/C7H14FO8P/c1-2-3(9)4(10)5(11)7(12,16-2)6(8)17(13,14)15/h2-6,9-12H,1H3,(H2,13,14,15)/p-2/t2-,3-,4+,5+,6?,7-/m0/s1.
What are the key properties of [fluoro-[(2S,3R,4R,5R,6S)-2,3,4,5-tetrahydroxy-6-methyloxan-2-yl]methyl]-trioxidophosphanium?
[fluoro-[(2S,3R,4R,5R,6S)-2,3,4,5-tetrahydroxy-6-methyloxan-2-yl]methyl]-trioxidophosphanium has a molecular weight of 274.14 g/mol, XLogP of -4.68, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [fluoro-[(2S,3R,4R,5R,6S)-2,3,4,5-tetrahydroxy-6-methyloxan-2-yl]methyl]-trioxidophosphanium is sourced from PubChem (CID 102592891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).