[(2R,5R)-1-[2-[(2R,5R)-2,5-bis(hydroxymethyl)phospholan-1-yl]phenyl]-5-(hydroxymethyl)phospholan-2-yl]methanol

C18H28O4P2 — CID 10919454

IUPAC[(2R,5R)-1-[2-[(2R,5R)-2,5-bis(hydroxymethyl)phospholan-1-yl]phenyl]-5-(hydroxymethyl)phospholan-2-yl]methanol
SMILESOC[C@H]1CC[C@H](CO)P1c1ccccc1P1[C@@H](CO)CC[C@@H]1CO
InChIInChI=1S/C18H28O4P2/c19-9-13-5-6-14(10-20)23(13)17-3-1-2-4-18(17)24-15(11-21)7-8-16(24)12-22/h1-4,13-16,19-22H,5-12H2/t13-,14-,15-,16-/m1/s1
InChIKeyVIXNEGNWAVFBKU-KLHDSHLOSA-N
MW370.37 g/mol
LogP0.93
Rot. Bonds6

About [(2R,5R)-1-[2-[(2R,5R)-2,5-bis(hydroxymethyl)phospholan-1-yl]phenyl]-5-(hydroxymethyl)phospholan-2-yl]methanol

[(2R,5R)-1-[2-[(2R,5R)-2,5-bis(hydroxymethyl)phospholan-1-yl]phenyl]-5-(hydroxymethyl)phospholan-2-yl]methanol (PubChem CID 10919454) has the molecular formula C18H28O4P2 and a molecular weight of 370.37 g/mol. Its IUPAC name is [(2R,5R)-1-[2-[(2R,5R)-2,5-bis(hydroxymethyl)phospholan-1-yl]phenyl]-5-(hydroxymethyl)phospholan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,5R)-1-[2-[(2R,5R)-2,5-bis(hydroxymethyl)phospholan-1-yl]phenyl]-5-(hydroxymethyl)phospholan-2-yl]methanol
PubChem CID10919454
Molecular FormulaC18H28O4P2
Molecular Weight370.37 g/mol
Exact Mass370.15
IUPAC Name[(2R,5R)-1-[2-[(2R,5R)-2,5-bis(hydroxymethyl)phospholan-1-yl]phenyl]-5-(hydroxymethyl)phospholan-2-yl]methanol
SMILESOC[C@H]1CC[C@H](CO)P1c1ccccc1P1[C@@H](CO)CC[C@@H]1CO
InChIInChI=1S/C18H28O4P2/c19-9-13-5-6-14(10-20)23(13)17-3-1-2-4-18(17)24-15(11-21)7-8-16(24)12-22/h1-4,13-16,19-22H,5-12H2/t13-,14-,15-,16-/m1/s1
InChIKeyVIXNEGNWAVFBKU-KLHDSHLOSA-N
XLogP0.93
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 50.93
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 [(2R,5R)-1-[2-[(2R,5R)-2,5-bis(hydroxymethyl)phospholan-1-yl]phenyl]-5-(hydroxymethyl)phospholan-2-yl]methanol?
The IUPAC name of [(2R,5R)-1-[2-[(2R,5R)-2,5-bis(hydroxymethyl)phospholan-1-yl]phenyl]-5-(hydroxymethyl)phospholan-2-yl]methanol (CID 10919454) is [(2R,5R)-1-[2-[(2R,5R)-2,5-bis(hydroxymethyl)phospholan-1-yl]phenyl]-5-(hydroxymethyl)phospholan-2-yl]methanol.
What is the SMILES notation for [(2R,5R)-1-[2-[(2R,5R)-2,5-bis(hydroxymethyl)phospholan-1-yl]phenyl]-5-(hydroxymethyl)phospholan-2-yl]methanol?
The canonical SMILES for [(2R,5R)-1-[2-[(2R,5R)-2,5-bis(hydroxymethyl)phospholan-1-yl]phenyl]-5-(hydroxymethyl)phospholan-2-yl]methanol is OC[C@H]1CC[C@H](CO)P1c1ccccc1P1[C@@H](CO)CC[C@@H]1CO.
What is the InChIKey of [(2R,5R)-1-[2-[(2R,5R)-2,5-bis(hydroxymethyl)phospholan-1-yl]phenyl]-5-(hydroxymethyl)phospholan-2-yl]methanol?
The InChIKey is VIXNEGNWAVFBKU-KLHDSHLOSA-N. The full InChI is InChI=1S/C18H28O4P2/c19-9-13-5-6-14(10-20)23(13)17-3-1-2-4-18(17)24-15(11-21)7-8-16(24)12-22/h1-4,13-16,19-22H,5-12H2/t13-,14-,15-,16-/m1/s1.
What are the key properties of [(2R,5R)-1-[2-[(2R,5R)-2,5-bis(hydroxymethyl)phospholan-1-yl]phenyl]-5-(hydroxymethyl)phospholan-2-yl]methanol?
[(2R,5R)-1-[2-[(2R,5R)-2,5-bis(hydroxymethyl)phospholan-1-yl]phenyl]-5-(hydroxymethyl)phospholan-2-yl]methanol has a molecular weight of 370.37 g/mol, XLogP of 0.93, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-1-[2-[(2R,5R)-2,5-bis(hydroxymethyl)phospholan-1-yl]phenyl]-5-(hydroxymethyl)phospholan-2-yl]methanol is sourced from PubChem (CID 10919454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).