[(2R,3S,4R)-6-[(2R,3S)-6-cyclopropyl-1-hydroxy-2-methylheptan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] N-(2-fluorophenyl)carbamate

C24H36FNO7 — CID 71106645

IUPAC[(2R,3S,4R)-6-[(2R,3S)-6-cyclopropyl-1-hydroxy-2-methylheptan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] N-(2-fluorophenyl)carbamate
SMILESCC(CC[C@H](OC1C[C@@H](O)[C@H](OC(=O)Nc2ccccc2F)[C@@H](CO)O1)[C@H](C)CO)C1CC1
InChIInChI=1S/C24H36FNO7/c1-14(16-8-9-16)7-10-20(15(2)12-27)31-22-11-19(29)23(21(13-28)32-22)33-24(30)26-18-6-4-3-5-17(18)25/h3-6,14-16,19-23,27-29H,7-13H2,1-2H3,(H,26,30)/t14?,15-,19-,20+,21-,22?,23+/m1/s1
InChIKeyKZGWIWSPQUEOGX-GFCJARDFSA-N
MW469.55 g/mol
LogP3.05
Rot. Bonds11

About [(2R,3S,4R)-6-[(2R,3S)-6-cyclopropyl-1-hydroxy-2-methylheptan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] N-(2-fluorophenyl)carbamate

[(2R,3S,4R)-6-[(2R,3S)-6-cyclopropyl-1-hydroxy-2-methylheptan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] N-(2-fluorophenyl)carbamate (PubChem CID 71106645) has the molecular formula C24H36FNO7 and a molecular weight of 469.55 g/mol. Its IUPAC name is [(2R,3S,4R)-6-[(2R,3S)-6-cyclopropyl-1-hydroxy-2-methylheptan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] N-(2-fluorophenyl)carbamate.

Molecular Properties

Compound Name[(2R,3S,4R)-6-[(2R,3S)-6-cyclopropyl-1-hydroxy-2-methylheptan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] N-(2-fluorophenyl)carbamate
PubChem CID71106645
Molecular FormulaC24H36FNO7
Molecular Weight469.55 g/mol
Exact Mass469.25
IUPAC Name[(2R,3S,4R)-6-[(2R,3S)-6-cyclopropyl-1-hydroxy-2-methylheptan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] N-(2-fluorophenyl)carbamate
SMILESCC(CC[C@H](OC1C[C@@H](O)[C@H](OC(=O)Nc2ccccc2F)[C@@H](CO)O1)[C@H](C)CO)C1CC1
InChIInChI=1S/C24H36FNO7/c1-14(16-8-9-16)7-10-20(15(2)12-27)31-22-11-19(29)23(21(13-28)32-22)33-24(30)26-18-6-4-3-5-17(18)25/h3-6,14-16,19-23,27-29H,7-13H2,1-2H3,(H,26,30)/t14?,15-,19-,20+,21-,22?,23+/m1/s1
InChIKeyKZGWIWSPQUEOGX-GFCJARDFSA-N
XLogP3.05
TPSA117.48 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 53.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

[(3S)-3-[(2-fluorophenyl)carbamoyloxy]-4-hydroxy-6-[(3S)-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxyoxan-2-yl]methyl N-(2-fluorophenyl)carbamate
CID 143276634
[(3S)-6-[(3S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-3-[(2-fluorophenyl)carbamoyloxy]-4-hydroxyoxan-2-yl]methyl N-(2-fluorophenyl)carbamate;ethane
CID 143276423
[(2R,3R,4S,5S,6S)-6-hydroxy-2-(hydroxymethyl)-4,5-bis[(2-phenylphenyl)carbamoyloxy]oxan-3-yl] N-phenylcarbamate
CID 171125523
1-(2-fluorophenyl)-3-(1-piperidin-4-ylethyl)urea
CID 43523415
[(2R,3R,4S,5S,6S)-2-(hydroxymethyl)-6-methoxy-5-(phenylcarbamoyloxy)-3-[(2-phenylphenyl)carbamoyloxy]oxan-4-yl] N-phenylcarbamate
CID 24868648
N-(2-fluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 111543632
2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-fluorophenyl)acetamide
CID 81390056
N-(2-fluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47228940
4-N-(2-fluorophenyl)-1-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150874
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 63848548
methyl (2R,4S)-1-[3-(2-fluoroanilino)-3-oxopropyl]-4-hydroxypyrrolidine-2-carboxylate
CID 124614909
N'-(2-fluorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
CID 16886603

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R)-6-[(2R,3S)-6-cyclopropyl-1-hydroxy-2-methylheptan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] N-(2-fluorophenyl)carbamate?
The IUPAC name of [(2R,3S,4R)-6-[(2R,3S)-6-cyclopropyl-1-hydroxy-2-methylheptan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] N-(2-fluorophenyl)carbamate (CID 71106645) is [(2R,3S,4R)-6-[(2R,3S)-6-cyclopropyl-1-hydroxy-2-methylheptan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] N-(2-fluorophenyl)carbamate.
What is the SMILES notation for [(2R,3S,4R)-6-[(2R,3S)-6-cyclopropyl-1-hydroxy-2-methylheptan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] N-(2-fluorophenyl)carbamate?
The canonical SMILES for [(2R,3S,4R)-6-[(2R,3S)-6-cyclopropyl-1-hydroxy-2-methylheptan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] N-(2-fluorophenyl)carbamate is CC(CC[C@H](OC1C[C@@H](O)[C@H](OC(=O)Nc2ccccc2F)[C@@H](CO)O1)[C@H](C)CO)C1CC1.
What is the InChIKey of [(2R,3S,4R)-6-[(2R,3S)-6-cyclopropyl-1-hydroxy-2-methylheptan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] N-(2-fluorophenyl)carbamate?
The InChIKey is KZGWIWSPQUEOGX-GFCJARDFSA-N. The full InChI is InChI=1S/C24H36FNO7/c1-14(16-8-9-16)7-10-20(15(2)12-27)31-22-11-19(29)23(21(13-28)32-22)33-24(30)26-18-6-4-3-5-17(18)25/h3-6,14-16,19-23,27-29H,7-13H2,1-2H3,(H,26,30)/t14?,15-,19-,20+,21-,22?,23+/m1/s1.
What are the key properties of [(2R,3S,4R)-6-[(2R,3S)-6-cyclopropyl-1-hydroxy-2-methylheptan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] N-(2-fluorophenyl)carbamate?
[(2R,3S,4R)-6-[(2R,3S)-6-cyclopropyl-1-hydroxy-2-methylheptan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] N-(2-fluorophenyl)carbamate has a molecular weight of 469.55 g/mol, XLogP of 3.05, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R)-6-[(2R,3S)-6-cyclopropyl-1-hydroxy-2-methylheptan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] N-(2-fluorophenyl)carbamate is sourced from PubChem (CID 71106645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).