CID 154680450

C31H49O2Po — CID 154680450

IUPAC—

SMILESCC1([C@@H]2CC[C@]3(C(=O)O)CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CC[C@H]([Po])C(C)(C)[C@@H]6CC[C@]54C)[C@@H]23)CC1

InChIInChI=1S/C31H49O2.Po/c1-26(2)12-7-13-28(4)22(26)11-14-30(6)23(28)9-8-21-24-20(27(3)16-17-27)10-15-31(24,25(32)33)19-18-29(21,30)5;/h12,20-24H,7-11,13-19H2,1-6H3,(H,32,33);/t20-,21-,22+,23-,24-,28+,29-,30-,31+;/m1./s1

InChIKeyPWJALSAOHGJVPO-LKQWRCTOSA-N

MW662.73 g/mol

LogP7.91

Rot. Bonds2

About CID 154680450

CID 154680450 (PubChem CID 154680450) has the molecular formula C31H49O2Po and a molecular weight of 662.73 g/mol.

Molecular Properties

Compound Name	CID 154680450
PubChem CID	154680450
Molecular Formula	C31H49O2Po
Molecular Weight	662.73 g/mol
Exact Mass	662.36
IUPAC Name	—
SMILES	CC1([C@@H]2CC[C@]3(C(=O)O)CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CC[C@H]([Po])C(C)(C)[C@@H]6CC[C@]54C)[C@@H]23)CC1
InChI	InChI=1S/C31H49O2.Po/c1-26(2)12-7-13-28(4)22(26)11-14-30(6)23(28)9-8-21-24-20(27(3)16-17-27)10-15-31(24,25(32)33)19-18-29(21,30)5;/h12,20-24H,7-11,13-19H2,1-6H3,(H,32,33);/t20-,21-,22+,23-,24-,28+,29-,30-,31+;/m1./s1
InChIKey	PWJALSAOHGJVPO-LKQWRCTOSA-N
XLogP	7.91
TPSA	37.30 Å²
H-Bond Donors	1
H-Bond Acceptors	1
Rotatable Bonds	2
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	662.73
LogP ≤ 5	7.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Related Compounds

Frequently Asked Questions

What is the IUPAC name of CID 154680450?

The IUPAC name of CID 154680450 (CID 154680450) is not available.

What is the SMILES notation for CID 154680450?

The canonical SMILES for CID 154680450 is CC1([C@@H]2CC[C@]3(C(=O)O)CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CC[C@H]([Po])C(C)(C)[C@@H]6CC[C@]54C)[C@@H]23)CC1.

What is the InChIKey of CID 154680450?

The InChIKey is PWJALSAOHGJVPO-LKQWRCTOSA-N. The full InChI is InChI=1S/C31H49O2.Po/c1-26(2)12-7-13-28(4)22(26)11-14-30(6)23(28)9-8-21-24-20(27(3)16-17-27)10-15-31(24,25(32)33)19-18-29(21,30)5;/h12,20-24H,7-11,13-19H2,1-6H3,(H,32,33);/t20-,21-,22+,23-,24-,28+,29-,30-,31+;/m1./s1.

What are the key properties of CID 154680450?

CID 154680450 has a molecular weight of 662.73 g/mol, XLogP of 7.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for CID 154680450 is sourced from PubChem (CID 154680450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).