dihydroxyphosphanyl [hydroxy-[[3-hydroxy-5-(3-methoxynaphthalen-2-yl)oxolan-2-yl]methoxy]phosphanyl] hydrogen phosphite

C16H21O10P3 — CID 167017678

IUPACdihydroxyphosphanyl [hydroxy-[[3-hydroxy-5-(3-methoxynaphthalen-2-yl)oxolan-2-yl]methoxy]phosphanyl] hydrogen phosphite
SMILESCOc1cc2ccccc2cc1C1CC(O)C(COP(O)OP(O)OP(O)O)O1
InChIInChI=1S/C16H21O10P3/c1-22-14-7-11-5-3-2-4-10(11)6-12(14)15-8-13(17)16(24-15)9-23-28(20)26-29(21)25-27(18)19/h2-7,13,15-21H,8-9H2,1H3
InChIKeyBVQLSMMUSSASDE-UHFFFAOYSA-N
MW466.26 g/mol
LogP2.74
Rot. Bonds9

About dihydroxyphosphanyl [hydroxy-[[3-hydroxy-5-(3-methoxynaphthalen-2-yl)oxolan-2-yl]methoxy]phosphanyl] hydrogen phosphite

dihydroxyphosphanyl [hydroxy-[[3-hydroxy-5-(3-methoxynaphthalen-2-yl)oxolan-2-yl]methoxy]phosphanyl] hydrogen phosphite (PubChem CID 167017678) has the molecular formula C16H21O10P3 and a molecular weight of 466.26 g/mol. Its IUPAC name is dihydroxyphosphanyl [hydroxy-[[3-hydroxy-5-(3-methoxynaphthalen-2-yl)oxolan-2-yl]methoxy]phosphanyl] hydrogen phosphite.

Molecular Properties

Compound Namedihydroxyphosphanyl [hydroxy-[[3-hydroxy-5-(3-methoxynaphthalen-2-yl)oxolan-2-yl]methoxy]phosphanyl] hydrogen phosphite
PubChem CID167017678
Molecular FormulaC16H21O10P3
Molecular Weight466.26 g/mol
Exact Mass466.03
IUPAC Namedihydroxyphosphanyl [hydroxy-[[3-hydroxy-5-(3-methoxynaphthalen-2-yl)oxolan-2-yl]methoxy]phosphanyl] hydrogen phosphite
SMILESCOc1cc2ccccc2cc1C1CC(O)C(COP(O)OP(O)OP(O)O)O1
InChIInChI=1S/C16H21O10P3/c1-22-14-7-11-5-3-2-4-10(11)6-12(14)15-8-13(17)16(24-15)9-23-28(20)26-29(21)25-27(18)19/h2-7,13,15-21H,8-9H2,1H3
InChIKeyBVQLSMMUSSASDE-UHFFFAOYSA-N
XLogP2.74
TPSA147.30 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.26
LogP ≤ 52.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dihydroxyphosphanyl [hydroxy-[[3-hydroxy-5-(3-methoxynaphthalen-2-yl)oxolan-2-yl]methoxy]phosphanyl] hydrogen phosphite?
The IUPAC name of dihydroxyphosphanyl [hydroxy-[[3-hydroxy-5-(3-methoxynaphthalen-2-yl)oxolan-2-yl]methoxy]phosphanyl] hydrogen phosphite (CID 167017678) is dihydroxyphosphanyl [hydroxy-[[3-hydroxy-5-(3-methoxynaphthalen-2-yl)oxolan-2-yl]methoxy]phosphanyl] hydrogen phosphite.
What is the SMILES notation for dihydroxyphosphanyl [hydroxy-[[3-hydroxy-5-(3-methoxynaphthalen-2-yl)oxolan-2-yl]methoxy]phosphanyl] hydrogen phosphite?
The canonical SMILES for dihydroxyphosphanyl [hydroxy-[[3-hydroxy-5-(3-methoxynaphthalen-2-yl)oxolan-2-yl]methoxy]phosphanyl] hydrogen phosphite is COc1cc2ccccc2cc1C1CC(O)C(COP(O)OP(O)OP(O)O)O1.
What is the InChIKey of dihydroxyphosphanyl [hydroxy-[[3-hydroxy-5-(3-methoxynaphthalen-2-yl)oxolan-2-yl]methoxy]phosphanyl] hydrogen phosphite?
The InChIKey is BVQLSMMUSSASDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21O10P3/c1-22-14-7-11-5-3-2-4-10(11)6-12(14)15-8-13(17)16(24-15)9-23-28(20)26-29(21)25-27(18)19/h2-7,13,15-21H,8-9H2,1H3.
What are the key properties of dihydroxyphosphanyl [hydroxy-[[3-hydroxy-5-(3-methoxynaphthalen-2-yl)oxolan-2-yl]methoxy]phosphanyl] hydrogen phosphite?
dihydroxyphosphanyl [hydroxy-[[3-hydroxy-5-(3-methoxynaphthalen-2-yl)oxolan-2-yl]methoxy]phosphanyl] hydrogen phosphite has a molecular weight of 466.26 g/mol, XLogP of 2.74, 9 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxyphosphanyl [hydroxy-[[3-hydroxy-5-(3-methoxynaphthalen-2-yl)oxolan-2-yl]methoxy]phosphanyl] hydrogen phosphite is sourced from PubChem (CID 167017678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).