[(2S)-2-[(2S)-2-anthracen-9-yl-2-methoxyacetyl]oxypropyl] (2S)-2-anthracen-9-yl-2-methoxyacetate

C37H32O6 — CID 102172592

IUPAC[(2S)-2-[(2S)-2-anthracen-9-yl-2-methoxyacetyl]oxypropyl] (2S)-2-anthracen-9-yl-2-methoxyacetate
SMILESCO[C@H](C(=O)OC[C@H](C)OC(=O)[C@@H](OC)c1c2ccccc2cc2ccccc12)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C37H32O6/c1-23(43-37(39)35(41-3)33-30-18-10-6-14-26(30)21-27-15-7-11-19-31(27)33)22-42-36(38)34(40-2)32-28-16-8-4-12-24(28)20-25-13-5-9-17-29(25)32/h4-21,23,34-35H,22H2,1-3H3/t23-,34-,35-/m0/s1
InChIKeyBRAVKEBJMRMELG-IEUMEBRQSA-N
MW572.66 g/mol
LogP7.85
Rot. Bonds9

About [(2S)-2-[(2S)-2-anthracen-9-yl-2-methoxyacetyl]oxypropyl] (2S)-2-anthracen-9-yl-2-methoxyacetate

[(2S)-2-[(2S)-2-anthracen-9-yl-2-methoxyacetyl]oxypropyl] (2S)-2-anthracen-9-yl-2-methoxyacetate (PubChem CID 102172592) has the molecular formula C37H32O6 and a molecular weight of 572.66 g/mol. Its IUPAC name is [(2S)-2-[(2S)-2-anthracen-9-yl-2-methoxyacetyl]oxypropyl] (2S)-2-anthracen-9-yl-2-methoxyacetate.

Molecular Properties

Compound Name[(2S)-2-[(2S)-2-anthracen-9-yl-2-methoxyacetyl]oxypropyl] (2S)-2-anthracen-9-yl-2-methoxyacetate
PubChem CID102172592
Molecular FormulaC37H32O6
Molecular Weight572.66 g/mol
Exact Mass572.22
IUPAC Name[(2S)-2-[(2S)-2-anthracen-9-yl-2-methoxyacetyl]oxypropyl] (2S)-2-anthracen-9-yl-2-methoxyacetate
SMILESCO[C@H](C(=O)OC[C@H](C)OC(=O)[C@@H](OC)c1c2ccccc2cc2ccccc12)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C37H32O6/c1-23(43-37(39)35(41-3)33-30-18-10-6-14-26(30)21-27-15-7-11-19-31(27)33)22-42-36(38)34(40-2)32-28-16-8-4-12-24(28)20-25-13-5-9-17-29(25)32/h4-21,23,34-35H,22H2,1-3H3/t23-,34-,35-/m0/s1
InChIKeyBRAVKEBJMRMELG-IEUMEBRQSA-N
XLogP7.85
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.66
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze [(2S)-2-[(2S)-2-anthracen-9-yl-2-methoxyacetyl]oxypropyl] (2S)-2-anthracen-9-yl-2-methoxyacetate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-anthracen-9-yl-2-methoxyacetate
CID 10424514
diethyl (2S,3S)-2,3-bis[[(2R)-2-anthracen-9-yl-2-methoxyacetyl]oxy]butanedioate
CID 11274007
[(2R,3S)-3-[(2R)-2-anthracen-9-yl-2-methoxyacetyl]oxyheptan-2-yl] (2R)-2-anthracen-9-yl-2-methoxyacetate
CID 11763550
[(2R,3S)-3-[(2S)-2-anthracen-9-yl-2-methoxyacetyl]oxyheptan-2-yl] (2S)-2-anthracen-9-yl-2-methoxyacetate
CID 11456370
methyl (2S,3S)-2,3-bis[[(2S)-2-anthracen-9-yl-2-methoxyacetyl]oxy]-3-phenylpropanoate
CID 11319978
S-[(2S)-butan-2-yl] (2R)-2-anthracen-9-yl-2-methoxyethanethioate
CID 102335411
[(2S)-pentan-2-yl] (2R)-2-methoxy-2-naphthalen-1-ylacetate
CID 102533727
dimethyl 2-anthracen-9-ylpropanedioate
CID 102159611
2-O-[(1S)-1-anthracen-9-yl-2-ethoxy-2-oxoethyl] 1-O-methyl (1S,2R)-cyclohex-4-ene-1,2-dicarboxylate
CID 101061273
[(2R)-hexan-2-yl] (2S)-2-methoxy-2-naphthalen-1-ylacetate
CID 102533731
anthracen-9-yl (2R)-2-methoxy-2-phenylacetate
CID 102424980
[(1S)-1-anthracen-9-yl-2-ethoxy-2-oxoethyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 101045686

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(2S)-2-anthracen-9-yl-2-methoxyacetyl]oxypropyl] (2S)-2-anthracen-9-yl-2-methoxyacetate?
The IUPAC name of [(2S)-2-[(2S)-2-anthracen-9-yl-2-methoxyacetyl]oxypropyl] (2S)-2-anthracen-9-yl-2-methoxyacetate (CID 102172592) is [(2S)-2-[(2S)-2-anthracen-9-yl-2-methoxyacetyl]oxypropyl] (2S)-2-anthracen-9-yl-2-methoxyacetate.
What is the SMILES notation for [(2S)-2-[(2S)-2-anthracen-9-yl-2-methoxyacetyl]oxypropyl] (2S)-2-anthracen-9-yl-2-methoxyacetate?
The canonical SMILES for [(2S)-2-[(2S)-2-anthracen-9-yl-2-methoxyacetyl]oxypropyl] (2S)-2-anthracen-9-yl-2-methoxyacetate is CO[C@H](C(=O)OC[C@H](C)OC(=O)[C@@H](OC)c1c2ccccc2cc2ccccc12)c1c2ccccc2cc2ccccc12.
What is the InChIKey of [(2S)-2-[(2S)-2-anthracen-9-yl-2-methoxyacetyl]oxypropyl] (2S)-2-anthracen-9-yl-2-methoxyacetate?
The InChIKey is BRAVKEBJMRMELG-IEUMEBRQSA-N. The full InChI is InChI=1S/C37H32O6/c1-23(43-37(39)35(41-3)33-30-18-10-6-14-26(30)21-27-15-7-11-19-31(27)33)22-42-36(38)34(40-2)32-28-16-8-4-12-24(28)20-25-13-5-9-17-29(25)32/h4-21,23,34-35H,22H2,1-3H3/t23-,34-,35-/m0/s1.
What are the key properties of [(2S)-2-[(2S)-2-anthracen-9-yl-2-methoxyacetyl]oxypropyl] (2S)-2-anthracen-9-yl-2-methoxyacetate?
[(2S)-2-[(2S)-2-anthracen-9-yl-2-methoxyacetyl]oxypropyl] (2S)-2-anthracen-9-yl-2-methoxyacetate has a molecular weight of 572.66 g/mol, XLogP of 7.85, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(2S)-2-anthracen-9-yl-2-methoxyacetyl]oxypropyl] (2S)-2-anthracen-9-yl-2-methoxyacetate is sourced from PubChem (CID 102172592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).