(2S,3S,4S,5S)-1-[2-[(2S,3S,4S,5S)-2,5-diethyl-3,4-dihydroxyphospholan-1-yl]phenyl]-2,5-diethylphospholane-3,4-diol

C22H36O4P2 — CID 15526950

IUPAC(2S,3S,4S,5S)-1-[2-[(2S,3S,4S,5S)-2,5-diethyl-3,4-dihydroxyphospholan-1-yl]phenyl]-2,5-diethylphospholane-3,4-diol
SMILESCC[C@H]1[C@@H](O)[C@H](O)[C@H](CC)P1c1ccccc1P1[C@@H](CC)[C@@H](O)[C@H](O)[C@@H]1CC
InChIInChI=1S/C22H36O4P2/c1-5-13-19(23)20(24)14(6-2)27(13)17-11-9-10-12-18(17)28-15(7-3)21(25)22(26)16(28)8-4/h9-16,19-26H,5-8H2,1-4H3/t13-,14-,15-,16-,19+,20+,21+,22+/m0/s1
InChIKeyMCHNLKZJFFCNSM-JWWQVWRMSA-N
MW426.47 g/mol
LogP2.49
Rot. Bonds6

About (2S,3S,4S,5S)-1-[2-[(2S,3S,4S,5S)-2,5-diethyl-3,4-dihydroxyphospholan-1-yl]phenyl]-2,5-diethylphospholane-3,4-diol

(2S,3S,4S,5S)-1-[2-[(2S,3S,4S,5S)-2,5-diethyl-3,4-dihydroxyphospholan-1-yl]phenyl]-2,5-diethylphospholane-3,4-diol (PubChem CID 15526950) has the molecular formula C22H36O4P2 and a molecular weight of 426.47 g/mol. Its IUPAC name is (2S,3S,4S,5S)-1-[2-[(2S,3S,4S,5S)-2,5-diethyl-3,4-dihydroxyphospholan-1-yl]phenyl]-2,5-diethylphospholane-3,4-diol.

Molecular Properties

Compound Name(2S,3S,4S,5S)-1-[2-[(2S,3S,4S,5S)-2,5-diethyl-3,4-dihydroxyphospholan-1-yl]phenyl]-2,5-diethylphospholane-3,4-diol
PubChem CID15526950
Molecular FormulaC22H36O4P2
Molecular Weight426.47 g/mol
Exact Mass426.21
IUPAC Name(2S,3S,4S,5S)-1-[2-[(2S,3S,4S,5S)-2,5-diethyl-3,4-dihydroxyphospholan-1-yl]phenyl]-2,5-diethylphospholane-3,4-diol
SMILESCC[C@H]1[C@@H](O)[C@H](O)[C@H](CC)P1c1ccccc1P1[C@@H](CC)[C@@H](O)[C@H](O)[C@@H]1CC
InChIInChI=1S/C22H36O4P2/c1-5-13-19(23)20(24)14(6-2)27(13)17-11-9-10-12-18(17)28-15(7-3)21(25)22(26)16(28)8-4/h9-16,19-26H,5-8H2,1-4H3/t13-,14-,15-,16-,19+,20+,21+,22+/m0/s1
InChIKeyMCHNLKZJFFCNSM-JWWQVWRMSA-N
XLogP2.49
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 52.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5S)-1-[2-[(2S,3S,4S,5S)-2,5-diethyl-3,4-dihydroxyphospholan-1-yl]phenyl]-2,5-diethylphospholane-3,4-diol?
The IUPAC name of (2S,3S,4S,5S)-1-[2-[(2S,3S,4S,5S)-2,5-diethyl-3,4-dihydroxyphospholan-1-yl]phenyl]-2,5-diethylphospholane-3,4-diol (CID 15526950) is (2S,3S,4S,5S)-1-[2-[(2S,3S,4S,5S)-2,5-diethyl-3,4-dihydroxyphospholan-1-yl]phenyl]-2,5-diethylphospholane-3,4-diol.
What is the SMILES notation for (2S,3S,4S,5S)-1-[2-[(2S,3S,4S,5S)-2,5-diethyl-3,4-dihydroxyphospholan-1-yl]phenyl]-2,5-diethylphospholane-3,4-diol?
The canonical SMILES for (2S,3S,4S,5S)-1-[2-[(2S,3S,4S,5S)-2,5-diethyl-3,4-dihydroxyphospholan-1-yl]phenyl]-2,5-diethylphospholane-3,4-diol is CC[C@H]1[C@@H](O)[C@H](O)[C@H](CC)P1c1ccccc1P1[C@@H](CC)[C@@H](O)[C@H](O)[C@@H]1CC.
What is the InChIKey of (2S,3S,4S,5S)-1-[2-[(2S,3S,4S,5S)-2,5-diethyl-3,4-dihydroxyphospholan-1-yl]phenyl]-2,5-diethylphospholane-3,4-diol?
The InChIKey is MCHNLKZJFFCNSM-JWWQVWRMSA-N. The full InChI is InChI=1S/C22H36O4P2/c1-5-13-19(23)20(24)14(6-2)27(13)17-11-9-10-12-18(17)28-15(7-3)21(25)22(26)16(28)8-4/h9-16,19-26H,5-8H2,1-4H3/t13-,14-,15-,16-,19+,20+,21+,22+/m0/s1.
What are the key properties of (2S,3S,4S,5S)-1-[2-[(2S,3S,4S,5S)-2,5-diethyl-3,4-dihydroxyphospholan-1-yl]phenyl]-2,5-diethylphospholane-3,4-diol?
(2S,3S,4S,5S)-1-[2-[(2S,3S,4S,5S)-2,5-diethyl-3,4-dihydroxyphospholan-1-yl]phenyl]-2,5-diethylphospholane-3,4-diol has a molecular weight of 426.47 g/mol, XLogP of 2.49, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5S)-1-[2-[(2S,3S,4S,5S)-2,5-diethyl-3,4-dihydroxyphospholan-1-yl]phenyl]-2,5-diethylphospholane-3,4-diol is sourced from PubChem (CID 15526950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).