(5R,6R,7S,8S,9R)-9-(hydroxymethyl)-3-phenyl-1,10-dioxa-2-azaspiro[4.5]decane-6,7,8-triol

C14H19NO6 — CID 24864076

IUPAC(5R,6R,7S,8S,9R)-9-(hydroxymethyl)-3-phenyl-1,10-dioxa-2-azaspiro[4.5]decane-6,7,8-triol
SMILESOC[C@H]1O[C@@]2(CC(c3ccccc3)NO2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H19NO6/c16-7-10-11(17)12(18)13(19)14(20-10)6-9(15-21-14)8-4-2-1-3-5-8/h1-5,9-13,15-19H,6-7H2/t9?,10-,11-,12+,13-,14-/m1/s1
InChIKeyQBUGZXNWSVFUBB-MXNNCRBYSA-N
MW297.31 g/mol
LogP-1.18
Rot. Bonds2

About (5R,6R,7S,8S,9R)-9-(hydroxymethyl)-3-phenyl-1,10-dioxa-2-azaspiro[4.5]decane-6,7,8-triol

(5R,6R,7S,8S,9R)-9-(hydroxymethyl)-3-phenyl-1,10-dioxa-2-azaspiro[4.5]decane-6,7,8-triol (PubChem CID 24864076) has the molecular formula C14H19NO6 and a molecular weight of 297.31 g/mol. Its IUPAC name is (5R,6R,7S,8S,9R)-9-(hydroxymethyl)-3-phenyl-1,10-dioxa-2-azaspiro[4.5]decane-6,7,8-triol.

Molecular Properties

Compound Name(5R,6R,7S,8S,9R)-9-(hydroxymethyl)-3-phenyl-1,10-dioxa-2-azaspiro[4.5]decane-6,7,8-triol
PubChem CID24864076
Molecular FormulaC14H19NO6
Molecular Weight297.31 g/mol
Exact Mass297.12
IUPAC Name(5R,6R,7S,8S,9R)-9-(hydroxymethyl)-3-phenyl-1,10-dioxa-2-azaspiro[4.5]decane-6,7,8-triol
SMILESOC[C@H]1O[C@@]2(CC(c3ccccc3)NO2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H19NO6/c16-7-10-11(17)12(18)13(19)14(20-10)6-9(15-21-14)8-4-2-1-3-5-8/h1-5,9-13,15-19H,6-7H2/t9?,10-,11-,12+,13-,14-/m1/s1
InChIKeyQBUGZXNWSVFUBB-MXNNCRBYSA-N
XLogP-1.18
TPSA111.41 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-1.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze (5R,6R,7S,8S,9R)-9-(hydroxymethyl)-3-phenyl-1,10-dioxa-2-azaspiro[4.5]decane-6,7,8-triol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R,6R,7S,8S,9R)-9-(hydroxymethyl)-3-phenyl-1,10-dioxa-2-azaspiro[4.5]decane-6,7,8-triol?
The IUPAC name of (5R,6R,7S,8S,9R)-9-(hydroxymethyl)-3-phenyl-1,10-dioxa-2-azaspiro[4.5]decane-6,7,8-triol (CID 24864076) is (5R,6R,7S,8S,9R)-9-(hydroxymethyl)-3-phenyl-1,10-dioxa-2-azaspiro[4.5]decane-6,7,8-triol.
What is the SMILES notation for (5R,6R,7S,8S,9R)-9-(hydroxymethyl)-3-phenyl-1,10-dioxa-2-azaspiro[4.5]decane-6,7,8-triol?
The canonical SMILES for (5R,6R,7S,8S,9R)-9-(hydroxymethyl)-3-phenyl-1,10-dioxa-2-azaspiro[4.5]decane-6,7,8-triol is OC[C@H]1O[C@@]2(CC(c3ccccc3)NO2)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (5R,6R,7S,8S,9R)-9-(hydroxymethyl)-3-phenyl-1,10-dioxa-2-azaspiro[4.5]decane-6,7,8-triol?
The InChIKey is QBUGZXNWSVFUBB-MXNNCRBYSA-N. The full InChI is InChI=1S/C14H19NO6/c16-7-10-11(17)12(18)13(19)14(20-10)6-9(15-21-14)8-4-2-1-3-5-8/h1-5,9-13,15-19H,6-7H2/t9?,10-,11-,12+,13-,14-/m1/s1.
What are the key properties of (5R,6R,7S,8S,9R)-9-(hydroxymethyl)-3-phenyl-1,10-dioxa-2-azaspiro[4.5]decane-6,7,8-triol?
(5R,6R,7S,8S,9R)-9-(hydroxymethyl)-3-phenyl-1,10-dioxa-2-azaspiro[4.5]decane-6,7,8-triol has a molecular weight of 297.31 g/mol, XLogP of -1.18, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R,7S,8S,9R)-9-(hydroxymethyl)-3-phenyl-1,10-dioxa-2-azaspiro[4.5]decane-6,7,8-triol is sourced from PubChem (CID 24864076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).