azane;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 1-[hydroxy(phenylmethoxy)phosphoryl]oxycyclopropane-1-carboxylate

C32H44NO7P — CID 175835086

IUPACazane;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 1-[hydroxy(phenylmethoxy)phosphoryl]oxycyclopropane-1-carboxylate
SMILESC=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1OC(=O)C1(OP(=O)(O)OCc2ccccc2)CC1.N
InChIInChI=1S/C32H41O7P.H3N/c1-5-6-8-13-25-19-28(33)30(27-18-23(4)14-15-26(27)22(2)3)29(20-25)38-31(34)32(16-17-32)39-40(35,36)37-21-24-11-9-7-10-12-24;/h7,9-12,18-20,26-27,33H,2,5-6,8,13-17,21H2,1,3-4H3,(H,35,36);1H3/t26-,27+;/m0./s1
InChIKeyWPJLDDYPLTVKLP-MFHXMFJOSA-N
MW585.68 g/mol
LogP8.07
Rot. Bonds13

About azane;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 1-[hydroxy(phenylmethoxy)phosphoryl]oxycyclopropane-1-carboxylate

azane;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 1-[hydroxy(phenylmethoxy)phosphoryl]oxycyclopropane-1-carboxylate (PubChem CID 175835086) has the molecular formula C32H44NO7P and a molecular weight of 585.68 g/mol. Its IUPAC name is azane;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 1-[hydroxy(phenylmethoxy)phosphoryl]oxycyclopropane-1-carboxylate.

Molecular Properties

Compound Nameazane;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 1-[hydroxy(phenylmethoxy)phosphoryl]oxycyclopropane-1-carboxylate
PubChem CID175835086
Molecular FormulaC32H44NO7P
Molecular Weight585.68 g/mol
Exact Mass585.29
IUPAC Nameazane;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 1-[hydroxy(phenylmethoxy)phosphoryl]oxycyclopropane-1-carboxylate
SMILESC=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1OC(=O)C1(OP(=O)(O)OCc2ccccc2)CC1.N
InChIInChI=1S/C32H41O7P.H3N/c1-5-6-8-13-25-19-28(33)30(27-18-23(4)14-15-26(27)22(2)3)29(20-25)38-31(34)32(16-17-32)39-40(35,36)37-21-24-11-9-7-10-12-24;/h7,9-12,18-20,26-27,33H,2,5-6,8,13-17,21H2,1,3-4H3,(H,35,36);1H3/t26-,27+;/m0./s1
InChIKeyWPJLDDYPLTVKLP-MFHXMFJOSA-N
XLogP8.07
TPSA137.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.68
LogP ≤ 58.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze azane;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 1-[hydroxy(phenylmethoxy)phosphoryl]oxycyclopropane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 1-[hydroxy(pentoxy)phosphoryl]oxycyclobutane-1-carboxylate
CID 177092910
[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 1-[decoxy(hydroxy)phosphoryl]oxycyclopentane-1-carboxylate
CID 177092669
[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 1-[heptoxy(hydroxy)phosphoryl]oxycyclopentane-1-carboxylate
CID 177092494
[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 1-phosphonooxycyclopentane-1-carboxylate
CID 177092579
[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 2-[hydroxy(phenylmethoxy)phosphoryl]oxy-2-phenylacetate
CID 177092549
[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 1-[hydroxy(phenylmethoxy)phosphoryl]oxyethyl carbonate
CID 177092637
[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 1-[hydroxy(propan-2-yloxy)phosphoryl]oxycyclohexane-1-carboxylate
CID 177092692
[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylphenyl] 1-[hydroxy(phenoxy)phosphoryl]oxycyclohexane-1-carboxylate
CID 177092893
[1-[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenoxy]carbonylcyclopentyl] pentyl phosphate
CID 177092890
heptyl [1-[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenoxy]carbonylcyclobutyl] phosphate
CID 177092504
[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylphenyl] 1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxycyclopentane-1-carboxylate
CID 177092718
[1-[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenoxy]carbonylcyclopentyl] 2-propylpentyl phosphate
CID 177092712

Frequently Asked Questions

What is the IUPAC name of azane;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 1-[hydroxy(phenylmethoxy)phosphoryl]oxycyclopropane-1-carboxylate?
The IUPAC name of azane;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 1-[hydroxy(phenylmethoxy)phosphoryl]oxycyclopropane-1-carboxylate (CID 175835086) is azane;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 1-[hydroxy(phenylmethoxy)phosphoryl]oxycyclopropane-1-carboxylate.
What is the SMILES notation for azane;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 1-[hydroxy(phenylmethoxy)phosphoryl]oxycyclopropane-1-carboxylate?
The canonical SMILES for azane;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 1-[hydroxy(phenylmethoxy)phosphoryl]oxycyclopropane-1-carboxylate is C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1OC(=O)C1(OP(=O)(O)OCc2ccccc2)CC1.N.
What is the InChIKey of azane;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 1-[hydroxy(phenylmethoxy)phosphoryl]oxycyclopropane-1-carboxylate?
The InChIKey is WPJLDDYPLTVKLP-MFHXMFJOSA-N. The full InChI is InChI=1S/C32H41O7P.H3N/c1-5-6-8-13-25-19-28(33)30(27-18-23(4)14-15-26(27)22(2)3)29(20-25)38-31(34)32(16-17-32)39-40(35,36)37-21-24-11-9-7-10-12-24;/h7,9-12,18-20,26-27,33H,2,5-6,8,13-17,21H2,1,3-4H3,(H,35,36);1H3/t26-,27+;/m0./s1.
What are the key properties of azane;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 1-[hydroxy(phenylmethoxy)phosphoryl]oxycyclopropane-1-carboxylate?
azane;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 1-[hydroxy(phenylmethoxy)phosphoryl]oxycyclopropane-1-carboxylate has a molecular weight of 585.68 g/mol, XLogP of 8.07, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azane;[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] 1-[hydroxy(phenylmethoxy)phosphoryl]oxycyclopropane-1-carboxylate is sourced from PubChem (CID 175835086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).