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

C20H36F2O4 — CID 139571505

IUPAC(2S,3S,4S,5R)-4-fluoro-5-[5-[(2S,3S,4R,5R)-4-fluoro-3-hydroxy-5-propan-2-yloxolan-2-yl]hexan-2-yl]-2-propan-2-yloxolan-3-ol
SMILESCC(C)[C@H]1O[C@@H](C(C)CCC(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)17-13(21)16(24)20(25-17)12(6)8-7-11(5)19-14(22)15(23)18(26-19)10(3)4/h9-20,23-24H,7-8H2,1-6H3/t11?,12?,13-,14+,15-,16-,17-,18+,19-,20+/m1/s1
InChIKeyCMTPGLFDFQHFHZ-KZBKBOGNSA-N
MW378.50 g/mol
LogP3.28
Rot. Bonds7

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

(2S,3S,4S,5R)-4-fluoro-5-[5-[(2S,3S,4R,5R)-4-fluoro-3-hydroxy-5-propan-2-yloxolan-2-yl]hexan-2-yl]-2-propan-2-yloxolan-3-ol (PubChem CID 139571505) has the molecular formula C20H36F2O4 and a molecular weight of 378.50 g/mol. Its IUPAC name is (2S,3S,4S,5R)-4-fluoro-5-[5-[(2S,3S,4R,5R)-4-fluoro-3-hydroxy-5-propan-2-yloxolan-2-yl]hexan-2-yl]-2-propan-2-yloxolan-3-ol.

Molecular Properties

Compound Name(2S,3S,4S,5R)-4-fluoro-5-[5-[(2S,3S,4R,5R)-4-fluoro-3-hydroxy-5-propan-2-yloxolan-2-yl]hexan-2-yl]-2-propan-2-yloxolan-3-ol
PubChem CID139571505
Molecular FormulaC20H36F2O4
Molecular Weight378.50 g/mol
Exact Mass378.26
IUPAC Name(2S,3S,4S,5R)-4-fluoro-5-[5-[(2S,3S,4R,5R)-4-fluoro-3-hydroxy-5-propan-2-yloxolan-2-yl]hexan-2-yl]-2-propan-2-yloxolan-3-ol
SMILESCC(C)[C@H]1O[C@@H](C(C)CCC(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)17-13(21)16(24)20(25-17)12(6)8-7-11(5)19-14(22)15(23)18(26-19)10(3)4/h9-20,23-24H,7-8H2,1-6H3/t11?,12?,13-,14+,15-,16-,17-,18+,19-,20+/m1/s1
InChIKeyCMTPGLFDFQHFHZ-KZBKBOGNSA-N
XLogP3.28
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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,4S,5R)-4-fluoro-5-[5-[(2S,3S,4R,5R)-4-fluoro-3-hydroxy-5-propan-2-yloxolan-2-yl]hexan-2-yl]-2-propan-2-yloxolan-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R)-4-fluoro-5-[5-[(2S,3S,4R,5R)-4-fluoro-3-hydroxy-5-propan-2-yloxolan-2-yl]hexan-2-yl]-2-propan-2-yloxolan-3-ol?
The IUPAC name of (2S,3S,4S,5R)-4-fluoro-5-[5-[(2S,3S,4R,5R)-4-fluoro-3-hydroxy-5-propan-2-yloxolan-2-yl]hexan-2-yl]-2-propan-2-yloxolan-3-ol (CID 139571505) is (2S,3S,4S,5R)-4-fluoro-5-[5-[(2S,3S,4R,5R)-4-fluoro-3-hydroxy-5-propan-2-yloxolan-2-yl]hexan-2-yl]-2-propan-2-yloxolan-3-ol.
What is the SMILES notation for (2S,3S,4S,5R)-4-fluoro-5-[5-[(2S,3S,4R,5R)-4-fluoro-3-hydroxy-5-propan-2-yloxolan-2-yl]hexan-2-yl]-2-propan-2-yloxolan-3-ol?
The canonical SMILES for (2S,3S,4S,5R)-4-fluoro-5-[5-[(2S,3S,4R,5R)-4-fluoro-3-hydroxy-5-propan-2-yloxolan-2-yl]hexan-2-yl]-2-propan-2-yloxolan-3-ol is CC(C)[C@H]1O[C@@H](C(C)CCC(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,4S,5R)-4-fluoro-5-[5-[(2S,3S,4R,5R)-4-fluoro-3-hydroxy-5-propan-2-yloxolan-2-yl]hexan-2-yl]-2-propan-2-yloxolan-3-ol?
The InChIKey is CMTPGLFDFQHFHZ-KZBKBOGNSA-N. The full InChI is InChI=1S/C20H36F2O4/c1-9(2)17-13(21)16(24)20(25-17)12(6)8-7-11(5)19-14(22)15(23)18(26-19)10(3)4/h9-20,23-24H,7-8H2,1-6H3/t11?,12?,13-,14+,15-,16-,17-,18+,19-,20+/m1/s1.
What are the key properties of (2S,3S,4S,5R)-4-fluoro-5-[5-[(2S,3S,4R,5R)-4-fluoro-3-hydroxy-5-propan-2-yloxolan-2-yl]hexan-2-yl]-2-propan-2-yloxolan-3-ol?
(2S,3S,4S,5R)-4-fluoro-5-[5-[(2S,3S,4R,5R)-4-fluoro-3-hydroxy-5-propan-2-yloxolan-2-yl]hexan-2-yl]-2-propan-2-yloxolan-3-ol has a molecular weight of 378.50 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R)-4-fluoro-5-[5-[(2S,3S,4R,5R)-4-fluoro-3-hydroxy-5-propan-2-yloxolan-2-yl]hexan-2-yl]-2-propan-2-yloxolan-3-ol is sourced from PubChem (CID 139571505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).