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

C20H37FO3 — CID 130441378

IUPAC(2S,3S,4S,5R)-4-fluoro-5-propan-2-yl-2-[5-[(2S,5R)-5-propan-2-yloxolan-2-yl]hexan-2-yl]oxolan-3-ol
SMILESCC(CCC(C)[C@@H]1O[C@H](C(C)C)[C@@H](F)[C@H]1O)[C@@H]1CC[C@H](C(C)C)O1
InChIInChI=1S/C20H37FO3/c1-11(2)15-9-10-16(23-15)13(5)7-8-14(6)20-18(22)17(21)19(24-20)12(3)4/h11-20,22H,7-10H2,1-6H3/t13?,14?,15-,16+,17+,18-,19-,20+/m1/s1
InChIKeyATGLLRWLDQSNJJ-MGFQOHDVSA-N
MW344.51 g/mol
LogP4.36
Rot. Bonds7

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

(2S,3S,4S,5R)-4-fluoro-5-propan-2-yl-2-[5-[(2S,5R)-5-propan-2-yloxolan-2-yl]hexan-2-yl]oxolan-3-ol (PubChem CID 130441378) has the molecular formula C20H37FO3 and a molecular weight of 344.51 g/mol. Its IUPAC name is (2S,3S,4S,5R)-4-fluoro-5-propan-2-yl-2-[5-[(2S,5R)-5-propan-2-yloxolan-2-yl]hexan-2-yl]oxolan-3-ol.

Molecular Properties

Compound Name(2S,3S,4S,5R)-4-fluoro-5-propan-2-yl-2-[5-[(2S,5R)-5-propan-2-yloxolan-2-yl]hexan-2-yl]oxolan-3-ol
PubChem CID130441378
Molecular FormulaC20H37FO3
Molecular Weight344.51 g/mol
Exact Mass344.27
IUPAC Name(2S,3S,4S,5R)-4-fluoro-5-propan-2-yl-2-[5-[(2S,5R)-5-propan-2-yloxolan-2-yl]hexan-2-yl]oxolan-3-ol
SMILESCC(CCC(C)[C@@H]1O[C@H](C(C)C)[C@@H](F)[C@H]1O)[C@@H]1CC[C@H](C(C)C)O1
InChIInChI=1S/C20H37FO3/c1-11(2)15-9-10-16(23-15)13(5)7-8-14(6)20-18(22)17(21)19(24-20)12(3)4/h11-20,22H,7-10H2,1-6H3/t13?,14?,15-,16+,17+,18-,19-,20+/m1/s1
InChIKeyATGLLRWLDQSNJJ-MGFQOHDVSA-N
XLogP4.36
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.51
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R)-4-fluoro-5-propan-2-yl-2-[5-[(2S,5R)-5-propan-2-yloxolan-2-yl]hexan-2-yl]oxolan-3-ol?
The IUPAC name of (2S,3S,4S,5R)-4-fluoro-5-propan-2-yl-2-[5-[(2S,5R)-5-propan-2-yloxolan-2-yl]hexan-2-yl]oxolan-3-ol (CID 130441378) is (2S,3S,4S,5R)-4-fluoro-5-propan-2-yl-2-[5-[(2S,5R)-5-propan-2-yloxolan-2-yl]hexan-2-yl]oxolan-3-ol.
What is the SMILES notation for (2S,3S,4S,5R)-4-fluoro-5-propan-2-yl-2-[5-[(2S,5R)-5-propan-2-yloxolan-2-yl]hexan-2-yl]oxolan-3-ol?
The canonical SMILES for (2S,3S,4S,5R)-4-fluoro-5-propan-2-yl-2-[5-[(2S,5R)-5-propan-2-yloxolan-2-yl]hexan-2-yl]oxolan-3-ol is CC(CCC(C)[C@@H]1O[C@H](C(C)C)[C@@H](F)[C@H]1O)[C@@H]1CC[C@H](C(C)C)O1.
What is the InChIKey of (2S,3S,4S,5R)-4-fluoro-5-propan-2-yl-2-[5-[(2S,5R)-5-propan-2-yloxolan-2-yl]hexan-2-yl]oxolan-3-ol?
The InChIKey is ATGLLRWLDQSNJJ-MGFQOHDVSA-N. The full InChI is InChI=1S/C20H37FO3/c1-11(2)15-9-10-16(23-15)13(5)7-8-14(6)20-18(22)17(21)19(24-20)12(3)4/h11-20,22H,7-10H2,1-6H3/t13?,14?,15-,16+,17+,18-,19-,20+/m1/s1.
What are the key properties of (2S,3S,4S,5R)-4-fluoro-5-propan-2-yl-2-[5-[(2S,5R)-5-propan-2-yloxolan-2-yl]hexan-2-yl]oxolan-3-ol?
(2S,3S,4S,5R)-4-fluoro-5-propan-2-yl-2-[5-[(2S,5R)-5-propan-2-yloxolan-2-yl]hexan-2-yl]oxolan-3-ol has a molecular weight of 344.51 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R)-4-fluoro-5-propan-2-yl-2-[5-[(2S,5R)-5-propan-2-yloxolan-2-yl]hexan-2-yl]oxolan-3-ol is sourced from PubChem (CID 130441378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).