(2R,3R,4S,5S,6R)-6-[(2R)-2-diethoxyphosphoryl-2-fluoroethyl]oxane-2,3,4,5-tetrol

C11H22FO8P — CID 102370910

IUPAC(2R,3R,4S,5S,6R)-6-[(2R)-2-diethoxyphosphoryl-2-fluoroethyl]oxane-2,3,4,5-tetrol
SMILESCCOP(=O)(OCC)[C@@H](F)C[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H22FO8P/c1-3-18-21(17,19-4-2)7(12)5-6-8(13)9(14)10(15)11(16)20-6/h6-11,13-16H,3-5H2,1-2H3/t6-,7-,8-,9+,10-,11-/m1/s1
InChIKeyBCCACKSIFQNABG-MPVQUNCYSA-N
MW332.26 g/mol
LogP-0.26
Rot. Bonds7

About (2R,3R,4S,5S,6R)-6-[(2R)-2-diethoxyphosphoryl-2-fluoroethyl]oxane-2,3,4,5-tetrol

(2R,3R,4S,5S,6R)-6-[(2R)-2-diethoxyphosphoryl-2-fluoroethyl]oxane-2,3,4,5-tetrol (PubChem CID 102370910) has the molecular formula C11H22FO8P and a molecular weight of 332.26 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-6-[(2R)-2-diethoxyphosphoryl-2-fluoroethyl]oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6R)-6-[(2R)-2-diethoxyphosphoryl-2-fluoroethyl]oxane-2,3,4,5-tetrol
PubChem CID102370910
Molecular FormulaC11H22FO8P
Molecular Weight332.26 g/mol
Exact Mass332.10
IUPAC Name(2R,3R,4S,5S,6R)-6-[(2R)-2-diethoxyphosphoryl-2-fluoroethyl]oxane-2,3,4,5-tetrol
SMILESCCOP(=O)(OCC)[C@@H](F)C[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H22FO8P/c1-3-18-21(17,19-4-2)7(12)5-6-8(13)9(14)10(15)11(16)20-6/h6-11,13-16H,3-5H2,1-2H3/t6-,7-,8-,9+,10-,11-/m1/s1
InChIKeyBCCACKSIFQNABG-MPVQUNCYSA-N
XLogP-0.26
TPSA125.68 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.26
LogP ≤ 5-0.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2R,3R,4S,5S,6R)-6-[(2R)-2-diethoxyphosphoryl-2-fluoroethyl]oxane-2,3,4,5-tetrol with MolForge

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Related Compounds

methyl-[[(3S,4S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]phosphinic acid
CID 89181885
2-[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]ethyl dihydrogen phosphate
CID 101430180
(2R,3S,4S,5S,6R)-6-(2,2-dihydroxyethyl)oxane-2,3,4,5-tetrol
CID 97302383
(2R,5S)-6-ethyloxane-2,3,4,5-tetrol
CID 163614233
(2R,6S)-6-ethyloxane-2,3,4,5-tetrol
CID 138718011
(2S,3R,4S,5S,6R)-6-ethyloxane-2,3,4,5-tetrol
CID 58340219
(6R)-6-ethyloxane-2,3,4,5-tetrol
CID 59974126
[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate
CID 23421199
disodium;[(2S,3R,4R,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate
CID 171380674
disodium;[(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate
CID 45052218
CID 131865245
CID 131865245
[(2R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate
CID 51351673

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-6-[(2R)-2-diethoxyphosphoryl-2-fluoroethyl]oxane-2,3,4,5-tetrol?
The IUPAC name of (2R,3R,4S,5S,6R)-6-[(2R)-2-diethoxyphosphoryl-2-fluoroethyl]oxane-2,3,4,5-tetrol (CID 102370910) is (2R,3R,4S,5S,6R)-6-[(2R)-2-diethoxyphosphoryl-2-fluoroethyl]oxane-2,3,4,5-tetrol.
What is the SMILES notation for (2R,3R,4S,5S,6R)-6-[(2R)-2-diethoxyphosphoryl-2-fluoroethyl]oxane-2,3,4,5-tetrol?
The canonical SMILES for (2R,3R,4S,5S,6R)-6-[(2R)-2-diethoxyphosphoryl-2-fluoroethyl]oxane-2,3,4,5-tetrol is CCOP(=O)(OCC)[C@@H](F)C[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5S,6R)-6-[(2R)-2-diethoxyphosphoryl-2-fluoroethyl]oxane-2,3,4,5-tetrol?
The InChIKey is BCCACKSIFQNABG-MPVQUNCYSA-N. The full InChI is InChI=1S/C11H22FO8P/c1-3-18-21(17,19-4-2)7(12)5-6-8(13)9(14)10(15)11(16)20-6/h6-11,13-16H,3-5H2,1-2H3/t6-,7-,8-,9+,10-,11-/m1/s1.
What are the key properties of (2R,3R,4S,5S,6R)-6-[(2R)-2-diethoxyphosphoryl-2-fluoroethyl]oxane-2,3,4,5-tetrol?
(2R,3R,4S,5S,6R)-6-[(2R)-2-diethoxyphosphoryl-2-fluoroethyl]oxane-2,3,4,5-tetrol has a molecular weight of 332.26 g/mol, XLogP of -0.26, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6R)-6-[(2R)-2-diethoxyphosphoryl-2-fluoroethyl]oxane-2,3,4,5-tetrol is sourced from PubChem (CID 102370910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).