13-hydroxy-5,21-bis(phenylmethoxy)-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene 13-oxide

C34H25O6P — CID 15626895

IUPAC13-hydroxy-5,21-bis(phenylmethoxy)-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene 13-oxide
SMILESO=P1(O)Oc2ccc3ccc(OCc4ccccc4)cc3c2-c2c(ccc3ccc(OCc4ccccc4)cc23)O1
InChIInChI=1S/C34H25O6P/c35-41(36)39-31-17-13-25-11-15-27(37-21-23-7-3-1-4-8-23)19-29(25)33(31)34-30-20-28(38-22-24-9-5-2-6-10-24)16-12-26(30)14-18-32(34)40-41/h1-20H,21-22H2,(H,35,36)
InChIKeyYHBOSQPXLVBTAY-UHFFFAOYSA-N
MW560.54 g/mol
LogP8.69
Rot. Bonds6

About 13-hydroxy-5,21-bis(phenylmethoxy)-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene 13-oxide

13-hydroxy-5,21-bis(phenylmethoxy)-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene 13-oxide (PubChem CID 15626895) has the molecular formula C34H25O6P and a molecular weight of 560.54 g/mol. Its IUPAC name is 13-hydroxy-5,21-bis(phenylmethoxy)-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene 13-oxide.

Molecular Properties

Compound Name13-hydroxy-5,21-bis(phenylmethoxy)-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene 13-oxide
PubChem CID15626895
Molecular FormulaC34H25O6P
Molecular Weight560.54 g/mol
Exact Mass560.14
IUPAC Name13-hydroxy-5,21-bis(phenylmethoxy)-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene 13-oxide
SMILESO=P1(O)Oc2ccc3ccc(OCc4ccccc4)cc3c2-c2c(ccc3ccc(OCc4ccccc4)cc23)O1
InChIInChI=1S/C34H25O6P/c35-41(36)39-31-17-13-25-11-15-27(37-21-23-7-3-1-4-8-23)19-29(25)33(31)34-30-20-28(38-22-24-9-5-2-6-10-24)16-12-26(30)14-18-32(34)40-41/h1-20H,21-22H2,(H,35,36)
InChIKeyYHBOSQPXLVBTAY-UHFFFAOYSA-N
XLogP8.69
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.54
LogP ≤ 58.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 13-hydroxy-5,21-bis(phenylmethoxy)-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene 13-oxide?
The IUPAC name of 13-hydroxy-5,21-bis(phenylmethoxy)-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene 13-oxide (CID 15626895) is 13-hydroxy-5,21-bis(phenylmethoxy)-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene 13-oxide.
What is the SMILES notation for 13-hydroxy-5,21-bis(phenylmethoxy)-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene 13-oxide?
The canonical SMILES for 13-hydroxy-5,21-bis(phenylmethoxy)-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene 13-oxide is O=P1(O)Oc2ccc3ccc(OCc4ccccc4)cc3c2-c2c(ccc3ccc(OCc4ccccc4)cc23)O1.
What is the InChIKey of 13-hydroxy-5,21-bis(phenylmethoxy)-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene 13-oxide?
The InChIKey is YHBOSQPXLVBTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25O6P/c35-41(36)39-31-17-13-25-11-15-27(37-21-23-7-3-1-4-8-23)19-29(25)33(31)34-30-20-28(38-22-24-9-5-2-6-10-24)16-12-26(30)14-18-32(34)40-41/h1-20H,21-22H2,(H,35,36).
What are the key properties of 13-hydroxy-5,21-bis(phenylmethoxy)-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene 13-oxide?
13-hydroxy-5,21-bis(phenylmethoxy)-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene 13-oxide has a molecular weight of 560.54 g/mol, XLogP of 8.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-hydroxy-5,21-bis(phenylmethoxy)-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene 13-oxide is sourced from PubChem (CID 15626895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).