(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-2-naphthalen-1-yl-5-propan-2-yloxyoxane-2,3,4,5-tetrol

C19H24O7 — CID 57227180

IUPAC(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-2-naphthalen-1-yl-5-propan-2-yloxyoxane-2,3,4,5-tetrol
SMILESCC(C)O[C@@]1(O)[C@H](O)[C@@H](O)[C@](O)(c2cccc3ccccc23)O[C@@H]1CO
InChIInChI=1S/C19H24O7/c1-11(2)25-19(24)15(10-20)26-18(23,16(21)17(19)22)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11,15-17,20-24H,10H2,1-2H3/t15-,16-,17-,18+,19-/m1/s1
InChIKeyRBJSYXLSVGTCBB-IEWDOMPSSA-N
MW364.39 g/mol
LogP0.21
Rot. Bonds4

About (2S,3R,4R,5S,6R)-6-(hydroxymethyl)-2-naphthalen-1-yl-5-propan-2-yloxyoxane-2,3,4,5-tetrol

(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-2-naphthalen-1-yl-5-propan-2-yloxyoxane-2,3,4,5-tetrol (PubChem CID 57227180) has the molecular formula C19H24O7 and a molecular weight of 364.39 g/mol. Its IUPAC name is (2S,3R,4R,5S,6R)-6-(hydroxymethyl)-2-naphthalen-1-yl-5-propan-2-yloxyoxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-2-naphthalen-1-yl-5-propan-2-yloxyoxane-2,3,4,5-tetrol
PubChem CID57227180
Molecular FormulaC19H24O7
Molecular Weight364.39 g/mol
Exact Mass364.15
IUPAC Name(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-2-naphthalen-1-yl-5-propan-2-yloxyoxane-2,3,4,5-tetrol
SMILESCC(C)O[C@@]1(O)[C@H](O)[C@@H](O)[C@](O)(c2cccc3ccccc23)O[C@@H]1CO
InChIInChI=1S/C19H24O7/c1-11(2)25-19(24)15(10-20)26-18(23,16(21)17(19)22)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11,15-17,20-24H,10H2,1-2H3/t15-,16-,17-,18+,19-/m1/s1
InChIKeyRBJSYXLSVGTCBB-IEWDOMPSSA-N
XLogP0.21
TPSA119.61 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 50.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S,6R)-6-(hydroxymethyl)-2-naphthalen-1-yl-5-propan-2-yloxyoxane-2,3,4,5-tetrol?
The IUPAC name of (2S,3R,4R,5S,6R)-6-(hydroxymethyl)-2-naphthalen-1-yl-5-propan-2-yloxyoxane-2,3,4,5-tetrol (CID 57227180) is (2S,3R,4R,5S,6R)-6-(hydroxymethyl)-2-naphthalen-1-yl-5-propan-2-yloxyoxane-2,3,4,5-tetrol.
What is the SMILES notation for (2S,3R,4R,5S,6R)-6-(hydroxymethyl)-2-naphthalen-1-yl-5-propan-2-yloxyoxane-2,3,4,5-tetrol?
The canonical SMILES for (2S,3R,4R,5S,6R)-6-(hydroxymethyl)-2-naphthalen-1-yl-5-propan-2-yloxyoxane-2,3,4,5-tetrol is CC(C)O[C@@]1(O)[C@H](O)[C@@H](O)[C@](O)(c2cccc3ccccc23)O[C@@H]1CO.
What is the InChIKey of (2S,3R,4R,5S,6R)-6-(hydroxymethyl)-2-naphthalen-1-yl-5-propan-2-yloxyoxane-2,3,4,5-tetrol?
The InChIKey is RBJSYXLSVGTCBB-IEWDOMPSSA-N. The full InChI is InChI=1S/C19H24O7/c1-11(2)25-19(24)15(10-20)26-18(23,16(21)17(19)22)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11,15-17,20-24H,10H2,1-2H3/t15-,16-,17-,18+,19-/m1/s1.
What are the key properties of (2S,3R,4R,5S,6R)-6-(hydroxymethyl)-2-naphthalen-1-yl-5-propan-2-yloxyoxane-2,3,4,5-tetrol?
(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-2-naphthalen-1-yl-5-propan-2-yloxyoxane-2,3,4,5-tetrol has a molecular weight of 364.39 g/mol, XLogP of 0.21, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S,6R)-6-(hydroxymethyl)-2-naphthalen-1-yl-5-propan-2-yloxyoxane-2,3,4,5-tetrol is sourced from PubChem (CID 57227180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).