CID 166018299

C24H31FN6O7P — CID 166018299

IUPAC—

SMILES[CH2][C@@]1(F)[C@H](O)[C@@H](CO[P@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc2ccccc2)O[C@H]1n1cnc2c(NC)ncnc21

InChIInChI=1S/C24H31FN6O7P/c1-14(2)36-22(33)15(3)30-39(34,38-16-9-7-6-8-10-16)35-11-17-19(32)24(4,25)23(37-17)31-13-29-18-20(26-5)27-12-28-21(18)31/h6-10,12-15,17,19,23,32H,4,11H2,1-3,5H3,(H,30,34)(H,26,27,28)/t15-,17+,19+,23+,24+,39+/m0/s1

InChIKeyAXWYUJGDGNDMCF-YBPSZHKISA-N

MW565.52 g/mol

LogP2.80

Rot. Bonds11

About CID 166018299

CID 166018299 (PubChem CID 166018299) has the molecular formula C24H31FN6O7P and a molecular weight of 565.52 g/mol.

Molecular Properties

Compound Name	CID 166018299
PubChem CID	166018299
Molecular Formula	C24H31FN6O7P
Molecular Weight	565.52 g/mol
Exact Mass	565.20
IUPAC Name	—
SMILES	[CH2][C@@]1(F)[C@H](O)[C@@H](CO[P@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc2ccccc2)O[C@H]1n1cnc2c(NC)ncnc21
InChI	InChI=1S/C24H31FN6O7P/c1-14(2)36-22(33)15(3)30-39(34,38-16-9-7-6-8-10-16)35-11-17-19(32)24(4,25)23(37-17)31-13-29-18-20(26-5)27-12-28-21(18)31/h6-10,12-15,17,19,23,32H,4,11H2,1-3,5H3,(H,30,34)(H,26,27,28)/t15-,17+,19+,23+,24+,39+/m0/s1
InChIKey	AXWYUJGDGNDMCF-YBPSZHKISA-N
XLogP	2.80
TPSA	158.95 Å²
H-Bond Donors	3
H-Bond Acceptors	12
Rotatable Bonds	11
Heavy Atoms	39
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.52
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of CID 166018299?

The IUPAC name of CID 166018299 (CID 166018299) is not available.

What is the SMILES notation for CID 166018299?

The canonical SMILES for CID 166018299 is [CH2][C@@]1(F)[C@H](O)[C@@H](CO[P@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc2ccccc2)O[C@H]1n1cnc2c(NC)ncnc21.

What is the InChIKey of CID 166018299?

The InChIKey is AXWYUJGDGNDMCF-YBPSZHKISA-N. The full InChI is InChI=1S/C24H31FN6O7P/c1-14(2)36-22(33)15(3)30-39(34,38-16-9-7-6-8-10-16)35-11-17-19(32)24(4,25)23(37-17)31-13-29-18-20(26-5)27-12-28-21(18)31/h6-10,12-15,17,19,23,32H,4,11H2,1-3,5H3,(H,30,34)(H,26,27,28)/t15-,17+,19+,23+,24+,39+/m0/s1.

What are the key properties of CID 166018299?

CID 166018299 has a molecular weight of 565.52 g/mol, XLogP of 2.80, 11 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for CID 166018299 is sourced from PubChem (CID 166018299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).