(2R,3S,4S)-2-[(3S,4S)-3-hydroxy-1,4-dimethylphospholan-2-yl]-1-methylphospholane-3,4-diol

C11H22O3P2 — CID 91550555

IUPAC(2R,3S,4S)-2-[(3S,4S)-3-hydroxy-1,4-dimethylphospholan-2-yl]-1-methylphospholane-3,4-diol
SMILESC[C@@H]1CP(C)C(C2[C@@H](O)[C@H](O)CP2C)[C@H]1O
InChIInChI=1S/C11H22O3P2/c1-6-4-15(2)10(8(6)13)11-9(14)7(12)5-16(11)3/h6-14H,4-5H2,1-3H3/t6-,7-,8+,9+,10?,11?,15?,16?/m1/s1
InChIKeyDOGGPRUMOAVTPY-WOQFRGIUSA-N
MW264.24 g/mol
LogP0.69
Rot. Bonds1

About (2R,3S,4S)-2-[(3S,4S)-3-hydroxy-1,4-dimethylphospholan-2-yl]-1-methylphospholane-3,4-diol

(2R,3S,4S)-2-[(3S,4S)-3-hydroxy-1,4-dimethylphospholan-2-yl]-1-methylphospholane-3,4-diol (PubChem CID 91550555) has the molecular formula C11H22O3P2 and a molecular weight of 264.24 g/mol. Its IUPAC name is (2R,3S,4S)-2-[(3S,4S)-3-hydroxy-1,4-dimethylphospholan-2-yl]-1-methylphospholane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S)-2-[(3S,4S)-3-hydroxy-1,4-dimethylphospholan-2-yl]-1-methylphospholane-3,4-diol
PubChem CID91550555
Molecular FormulaC11H22O3P2
Molecular Weight264.24 g/mol
Exact Mass264.10
IUPAC Name(2R,3S,4S)-2-[(3S,4S)-3-hydroxy-1,4-dimethylphospholan-2-yl]-1-methylphospholane-3,4-diol
SMILESC[C@@H]1CP(C)C(C2[C@@H](O)[C@H](O)CP2C)[C@H]1O
InChIInChI=1S/C11H22O3P2/c1-6-4-15(2)10(8(6)13)11-9(14)7(12)5-16(11)3/h6-14H,4-5H2,1-3H3/t6-,7-,8+,9+,10?,11?,15?,16?/m1/s1
InChIKeyDOGGPRUMOAVTPY-WOQFRGIUSA-N
XLogP0.69
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-2-[(3S,4S)-3-hydroxy-1,4-dimethylphospholan-2-yl]-1-methylphospholane-3,4-diol?
The IUPAC name of (2R,3S,4S)-2-[(3S,4S)-3-hydroxy-1,4-dimethylphospholan-2-yl]-1-methylphospholane-3,4-diol (CID 91550555) is (2R,3S,4S)-2-[(3S,4S)-3-hydroxy-1,4-dimethylphospholan-2-yl]-1-methylphospholane-3,4-diol.
What is the SMILES notation for (2R,3S,4S)-2-[(3S,4S)-3-hydroxy-1,4-dimethylphospholan-2-yl]-1-methylphospholane-3,4-diol?
The canonical SMILES for (2R,3S,4S)-2-[(3S,4S)-3-hydroxy-1,4-dimethylphospholan-2-yl]-1-methylphospholane-3,4-diol is C[C@@H]1CP(C)C(C2[C@@H](O)[C@H](O)CP2C)[C@H]1O.
What is the InChIKey of (2R,3S,4S)-2-[(3S,4S)-3-hydroxy-1,4-dimethylphospholan-2-yl]-1-methylphospholane-3,4-diol?
The InChIKey is DOGGPRUMOAVTPY-WOQFRGIUSA-N. The full InChI is InChI=1S/C11H22O3P2/c1-6-4-15(2)10(8(6)13)11-9(14)7(12)5-16(11)3/h6-14H,4-5H2,1-3H3/t6-,7-,8+,9+,10?,11?,15?,16?/m1/s1.
What are the key properties of (2R,3S,4S)-2-[(3S,4S)-3-hydroxy-1,4-dimethylphospholan-2-yl]-1-methylphospholane-3,4-diol?
(2R,3S,4S)-2-[(3S,4S)-3-hydroxy-1,4-dimethylphospholan-2-yl]-1-methylphospholane-3,4-diol has a molecular weight of 264.24 g/mol, XLogP of 0.69, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-2-[(3S,4S)-3-hydroxy-1,4-dimethylphospholan-2-yl]-1-methylphospholane-3,4-diol is sourced from PubChem (CID 91550555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).