naphthalen-2-yl (2,3,4,5,6-pentahydroxycyclohexyl) hydrogen phosphate

C16H19O9P — CID 18539749

IUPACnaphthalen-2-yl (2,3,4,5,6-pentahydroxycyclohexyl) hydrogen phosphate
SMILESO=P(O)(Oc1ccc2ccccc2c1)OC1C(O)C(O)C(O)C(O)C1O
InChIInChI=1S/C16H19O9P/c17-11-12(18)14(20)16(15(21)13(11)19)25-26(22,23)24-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11-21H,(H,22,23)
InChIKeyJNHJKSFGKYXCCV-UHFFFAOYSA-N
MW386.29 g/mol
LogP-0.48
Rot. Bonds4

About naphthalen-2-yl (2,3,4,5,6-pentahydroxycyclohexyl) hydrogen phosphate

naphthalen-2-yl (2,3,4,5,6-pentahydroxycyclohexyl) hydrogen phosphate (PubChem CID 18539749) has the molecular formula C16H19O9P and a molecular weight of 386.29 g/mol. Its IUPAC name is naphthalen-2-yl (2,3,4,5,6-pentahydroxycyclohexyl) hydrogen phosphate.

Molecular Properties

Compound Namenaphthalen-2-yl (2,3,4,5,6-pentahydroxycyclohexyl) hydrogen phosphate
PubChem CID18539749
Molecular FormulaC16H19O9P
Molecular Weight386.29 g/mol
Exact Mass386.08
IUPAC Namenaphthalen-2-yl (2,3,4,5,6-pentahydroxycyclohexyl) hydrogen phosphate
SMILESO=P(O)(Oc1ccc2ccccc2c1)OC1C(O)C(O)C(O)C(O)C1O
InChIInChI=1S/C16H19O9P/c17-11-12(18)14(20)16(15(21)13(11)19)25-26(22,23)24-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11-21H,(H,22,23)
InChIKeyJNHJKSFGKYXCCV-UHFFFAOYSA-N
XLogP-0.48
TPSA156.91 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.29
LogP ≤ 5-0.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

sodium naphthalen-2-yl hydrogen phosphate
CID 23700943
naphthalen-2-yl 6-oxohexyl hydrogen phosphate
CID 118492240
bis(3,5-dimethylphenyl) naphthalen-2-yl phosphate
CID 139980297
(2R,3S,4S,5R,6S)-2-methyl-6-naphthalen-2-yloxyoxane-3,4,5-triol
CID 70423930
disodium;naphthalen-1-ol;naphthalen-2-yl phosphate
CID 159176752
bis(4-tert-butylphenyl) naphthalen-2-yl phosphate
CID 139980260
(2,3,4,5,6-pentahydroxycyclohexyl) 4-pyren-1-ylbutyl hydrogen phosphate
CID 4673166
sodium (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-naphthalen-2-yloxyoxane-2-carboxylic acid
CID 130476793
2-(3,5-dinaphthalen-2-yloxyphenoxy)naphthalene
CID 135017313
naphthalen-2-yl cyclopropanecarboxylate
CID 532295
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-naphthalen-2-yloxyoxane-3,4,5-triol
CID 2724405
(2S,3S,4R,5S,6S)-2-(hydroxymethyl)-6-naphthalen-2-yloxyoxane-3,4,5-triol
CID 7099542

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl (2,3,4,5,6-pentahydroxycyclohexyl) hydrogen phosphate?
The IUPAC name of naphthalen-2-yl (2,3,4,5,6-pentahydroxycyclohexyl) hydrogen phosphate (CID 18539749) is naphthalen-2-yl (2,3,4,5,6-pentahydroxycyclohexyl) hydrogen phosphate.
What is the SMILES notation for naphthalen-2-yl (2,3,4,5,6-pentahydroxycyclohexyl) hydrogen phosphate?
The canonical SMILES for naphthalen-2-yl (2,3,4,5,6-pentahydroxycyclohexyl) hydrogen phosphate is O=P(O)(Oc1ccc2ccccc2c1)OC1C(O)C(O)C(O)C(O)C1O.
What is the InChIKey of naphthalen-2-yl (2,3,4,5,6-pentahydroxycyclohexyl) hydrogen phosphate?
The InChIKey is JNHJKSFGKYXCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19O9P/c17-11-12(18)14(20)16(15(21)13(11)19)25-26(22,23)24-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11-21H,(H,22,23).
What are the key properties of naphthalen-2-yl (2,3,4,5,6-pentahydroxycyclohexyl) hydrogen phosphate?
naphthalen-2-yl (2,3,4,5,6-pentahydroxycyclohexyl) hydrogen phosphate has a molecular weight of 386.29 g/mol, XLogP of -0.48, 4 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl (2,3,4,5,6-pentahydroxycyclohexyl) hydrogen phosphate is sourced from PubChem (CID 18539749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).