(2S,3S,4R,5R)-4-fluoro-2-[4-[(2R,3S,4S,5S)-3-fluoro-4-hydroxy-5-propan-2-yloxolan-2-yl]-4-methylpentan-2-yl]-5-propan-2-yloxolan-3-ol

C20H36F2O4 — CID 130441411

IUPAC(2S,3S,4R,5R)-4-fluoro-2-[4-[(2R,3S,4S,5S)-3-fluoro-4-hydroxy-5-propan-2-yloxolan-2-yl]-4-methylpentan-2-yl]-5-propan-2-yloxolan-3-ol
SMILESCC(C)[C@H]1O[C@@H](C(C)CC(C)(C)[C@H]2O[C@@H](C(C)C)[C@H](O)[C@@H]2F)[C@H](O)[C@H]1F
InChIInChI=1S/C20H36F2O4/c1-9(2)16-12(21)14(23)18(25-16)11(5)8-20(6,7)19-13(22)15(24)17(26-19)10(3)4/h9-19,23-24H,8H2,1-7H3/t11?,12-,13+,14-,15-,16-,17+,18+,19+/m1/s1
InChIKeyRCIDYZABGAKCTN-OIJPDWRHSA-N
MW378.50 g/mol
LogP3.28
Rot. Bonds6

About (2S,3S,4R,5R)-4-fluoro-2-[4-[(2R,3S,4S,5S)-3-fluoro-4-hydroxy-5-propan-2-yloxolan-2-yl]-4-methylpentan-2-yl]-5-propan-2-yloxolan-3-ol

(2S,3S,4R,5R)-4-fluoro-2-[4-[(2R,3S,4S,5S)-3-fluoro-4-hydroxy-5-propan-2-yloxolan-2-yl]-4-methylpentan-2-yl]-5-propan-2-yloxolan-3-ol (PubChem CID 130441411) has the molecular formula C20H36F2O4 and a molecular weight of 378.50 g/mol. Its IUPAC name is (2S,3S,4R,5R)-4-fluoro-2-[4-[(2R,3S,4S,5S)-3-fluoro-4-hydroxy-5-propan-2-yloxolan-2-yl]-4-methylpentan-2-yl]-5-propan-2-yloxolan-3-ol.

Molecular Properties

Compound Name(2S,3S,4R,5R)-4-fluoro-2-[4-[(2R,3S,4S,5S)-3-fluoro-4-hydroxy-5-propan-2-yloxolan-2-yl]-4-methylpentan-2-yl]-5-propan-2-yloxolan-3-ol
PubChem CID130441411
Molecular FormulaC20H36F2O4
Molecular Weight378.50 g/mol
Exact Mass378.26
IUPAC Name(2S,3S,4R,5R)-4-fluoro-2-[4-[(2R,3S,4S,5S)-3-fluoro-4-hydroxy-5-propan-2-yloxolan-2-yl]-4-methylpentan-2-yl]-5-propan-2-yloxolan-3-ol
SMILESCC(C)[C@H]1O[C@@H](C(C)CC(C)(C)[C@H]2O[C@@H](C(C)C)[C@H](O)[C@@H]2F)[C@H](O)[C@H]1F
InChIInChI=1S/C20H36F2O4/c1-9(2)16-12(21)14(23)18(25-16)11(5)8-20(6,7)19-13(22)15(24)17(26-19)10(3)4/h9-19,23-24H,8H2,1-7H3/t11?,12-,13+,14-,15-,16-,17+,18+,19+/m1/s1
InChIKeyRCIDYZABGAKCTN-OIJPDWRHSA-N
XLogP3.28
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,3S,4R,5R)-4-fluoro-2-[4-[(2R,3S,4S,5S)-3-fluoro-4-hydroxy-5-propan-2-yloxolan-2-yl]-4-methylpentan-2-yl]-5-propan-2-yloxolan-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-4-fluoro-2-[4-[(2R,3S,4S,5S)-3-fluoro-4-hydroxy-5-propan-2-yloxolan-2-yl]-4-methylpentan-2-yl]-5-propan-2-yloxolan-3-ol?
The IUPAC name of (2S,3S,4R,5R)-4-fluoro-2-[4-[(2R,3S,4S,5S)-3-fluoro-4-hydroxy-5-propan-2-yloxolan-2-yl]-4-methylpentan-2-yl]-5-propan-2-yloxolan-3-ol (CID 130441411) is (2S,3S,4R,5R)-4-fluoro-2-[4-[(2R,3S,4S,5S)-3-fluoro-4-hydroxy-5-propan-2-yloxolan-2-yl]-4-methylpentan-2-yl]-5-propan-2-yloxolan-3-ol.
What is the SMILES notation for (2S,3S,4R,5R)-4-fluoro-2-[4-[(2R,3S,4S,5S)-3-fluoro-4-hydroxy-5-propan-2-yloxolan-2-yl]-4-methylpentan-2-yl]-5-propan-2-yloxolan-3-ol?
The canonical SMILES for (2S,3S,4R,5R)-4-fluoro-2-[4-[(2R,3S,4S,5S)-3-fluoro-4-hydroxy-5-propan-2-yloxolan-2-yl]-4-methylpentan-2-yl]-5-propan-2-yloxolan-3-ol is CC(C)[C@H]1O[C@@H](C(C)CC(C)(C)[C@H]2O[C@@H](C(C)C)[C@H](O)[C@@H]2F)[C@H](O)[C@H]1F.
What is the InChIKey of (2S,3S,4R,5R)-4-fluoro-2-[4-[(2R,3S,4S,5S)-3-fluoro-4-hydroxy-5-propan-2-yloxolan-2-yl]-4-methylpentan-2-yl]-5-propan-2-yloxolan-3-ol?
The InChIKey is RCIDYZABGAKCTN-OIJPDWRHSA-N. The full InChI is InChI=1S/C20H36F2O4/c1-9(2)16-12(21)14(23)18(25-16)11(5)8-20(6,7)19-13(22)15(24)17(26-19)10(3)4/h9-19,23-24H,8H2,1-7H3/t11?,12-,13+,14-,15-,16-,17+,18+,19+/m1/s1.
What are the key properties of (2S,3S,4R,5R)-4-fluoro-2-[4-[(2R,3S,4S,5S)-3-fluoro-4-hydroxy-5-propan-2-yloxolan-2-yl]-4-methylpentan-2-yl]-5-propan-2-yloxolan-3-ol?
(2S,3S,4R,5R)-4-fluoro-2-[4-[(2R,3S,4S,5S)-3-fluoro-4-hydroxy-5-propan-2-yloxolan-2-yl]-4-methylpentan-2-yl]-5-propan-2-yloxolan-3-ol has a molecular weight of 378.50 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-4-fluoro-2-[4-[(2R,3S,4S,5S)-3-fluoro-4-hydroxy-5-propan-2-yloxolan-2-yl]-4-methylpentan-2-yl]-5-propan-2-yloxolan-3-ol is sourced from PubChem (CID 130441411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).