2-hydroxyethyl N-[[(1S,2R,3S,4S,6R,7S,8R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl]oxycarbonyl]carbamate

C24H37NO7 — CID 10225933

IUPAC2-hydroxyethyl N-[[(1S,2R,3S,4S,6R,7S,8R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl]oxycarbonyl]carbamate
SMILESC=C[C@]1(C)C[C@@H](OC(=O)NC(=O)OCCO)[C@@]2(C)C(C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O
InChIInChI=1S/C24H37NO7/c1-6-22(4)13-17(32-21(30)25-20(29)31-12-11-26)23(5)14(2)7-9-24(15(3)19(22)28)10-8-16(27)18(23)24/h6,14-15,17-19,26,28H,1,7-13H2,2-5H3,(H,25,29,30)/t14?,15-,17+,18-,19-,22+,23+,24-/m0/s1
InChIKeyLFVIIVHVKLFOHT-SIBMJOIOSA-N
MW451.56 g/mol
LogP3.20
Rot. Bonds4

About 2-hydroxyethyl N-[[(1S,2R,3S,4S,6R,7S,8R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl]oxycarbonyl]carbamate

2-hydroxyethyl N-[[(1S,2R,3S,4S,6R,7S,8R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl]oxycarbonyl]carbamate (PubChem CID 10225933) has the molecular formula C24H37NO7 and a molecular weight of 451.56 g/mol. Its IUPAC name is 2-hydroxyethyl N-[[(1S,2R,3S,4S,6R,7S,8R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl]oxycarbonyl]carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-[[(1S,2R,3S,4S,6R,7S,8R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl]oxycarbonyl]carbamate
PubChem CID10225933
Molecular FormulaC24H37NO7
Molecular Weight451.56 g/mol
Exact Mass451.26
IUPAC Name2-hydroxyethyl N-[[(1S,2R,3S,4S,6R,7S,8R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl]oxycarbonyl]carbamate
SMILESC=C[C@]1(C)C[C@@H](OC(=O)NC(=O)OCCO)[C@@]2(C)C(C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O
InChIInChI=1S/C24H37NO7/c1-6-22(4)13-17(32-21(30)25-20(29)31-12-11-26)23(5)14(2)7-9-24(15(3)19(22)28)10-8-16(27)18(23)24/h6,14-15,17-19,26,28H,1,7-13H2,2-5H3,(H,25,29,30)/t14?,15-,17+,18-,19-,22+,23+,24-/m0/s1
InChIKeyLFVIIVHVKLFOHT-SIBMJOIOSA-N
XLogP3.20
TPSA122.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.56
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-hydroxyethyl N-[[(1S,2R,3S,4S,6R,7S,8R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl]oxycarbonyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-[[(1S,2R,3S,4S,6R,7S,8R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl]oxycarbonyl]carbamate?
The IUPAC name of 2-hydroxyethyl N-[[(1S,2R,3S,4S,6R,7S,8R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl]oxycarbonyl]carbamate (CID 10225933) is 2-hydroxyethyl N-[[(1S,2R,3S,4S,6R,7S,8R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl]oxycarbonyl]carbamate.
What is the SMILES notation for 2-hydroxyethyl N-[[(1S,2R,3S,4S,6R,7S,8R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl]oxycarbonyl]carbamate?
The canonical SMILES for 2-hydroxyethyl N-[[(1S,2R,3S,4S,6R,7S,8R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl]oxycarbonyl]carbamate is C=C[C@]1(C)C[C@@H](OC(=O)NC(=O)OCCO)[C@@]2(C)C(C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O.
What is the InChIKey of 2-hydroxyethyl N-[[(1S,2R,3S,4S,6R,7S,8R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl]oxycarbonyl]carbamate?
The InChIKey is LFVIIVHVKLFOHT-SIBMJOIOSA-N. The full InChI is InChI=1S/C24H37NO7/c1-6-22(4)13-17(32-21(30)25-20(29)31-12-11-26)23(5)14(2)7-9-24(15(3)19(22)28)10-8-16(27)18(23)24/h6,14-15,17-19,26,28H,1,7-13H2,2-5H3,(H,25,29,30)/t14?,15-,17+,18-,19-,22+,23+,24-/m0/s1.
What are the key properties of 2-hydroxyethyl N-[[(1S,2R,3S,4S,6R,7S,8R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl]oxycarbonyl]carbamate?
2-hydroxyethyl N-[[(1S,2R,3S,4S,6R,7S,8R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl]oxycarbonyl]carbamate has a molecular weight of 451.56 g/mol, XLogP of 3.20, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-[[(1S,2R,3S,4S,6R,7S,8R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl]oxycarbonyl]carbamate is sourced from PubChem (CID 10225933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).