(5S,6R,7S,8S,9R)-6,7,8-trihydroxy-9-(hydroxymethyl)-2,2-dimethyl-1,10-dioxa-3-azaspiro[4.5]decan-4-one

C10H17NO7 — CID 122218237

IUPAC(5S,6R,7S,8S,9R)-6,7,8-trihydroxy-9-(hydroxymethyl)-2,2-dimethyl-1,10-dioxa-3-azaspiro[4.5]decan-4-one
SMILESCC1(C)NC(=O)[C@@]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1
InChIInChI=1S/C10H17NO7/c1-9(2)11-8(16)10(18-9)7(15)6(14)5(13)4(3-12)17-10/h4-7,12-15H,3H2,1-2H3,(H,11,16)/t4-,5-,6+,7-,10+/m1/s1
InChIKeyULICSAKJZAFRAB-UTAYWCBXSA-N
MW263.25 g/mol
LogP-2.96
Rot. Bonds1

About (5S,6R,7S,8S,9R)-6,7,8-trihydroxy-9-(hydroxymethyl)-2,2-dimethyl-1,10-dioxa-3-azaspiro[4.5]decan-4-one

(5S,6R,7S,8S,9R)-6,7,8-trihydroxy-9-(hydroxymethyl)-2,2-dimethyl-1,10-dioxa-3-azaspiro[4.5]decan-4-one (PubChem CID 122218237) has the molecular formula C10H17NO7 and a molecular weight of 263.25 g/mol. Its IUPAC name is (5S,6R,7S,8S,9R)-6,7,8-trihydroxy-9-(hydroxymethyl)-2,2-dimethyl-1,10-dioxa-3-azaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name(5S,6R,7S,8S,9R)-6,7,8-trihydroxy-9-(hydroxymethyl)-2,2-dimethyl-1,10-dioxa-3-azaspiro[4.5]decan-4-one
PubChem CID122218237
Molecular FormulaC10H17NO7
Molecular Weight263.25 g/mol
Exact Mass263.10
IUPAC Name(5S,6R,7S,8S,9R)-6,7,8-trihydroxy-9-(hydroxymethyl)-2,2-dimethyl-1,10-dioxa-3-azaspiro[4.5]decan-4-one
SMILESCC1(C)NC(=O)[C@@]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1
InChIInChI=1S/C10H17NO7/c1-9(2)11-8(16)10(18-9)7(15)6(14)5(13)4(3-12)17-10/h4-7,12-15H,3H2,1-2H3,(H,11,16)/t4-,5-,6+,7-,10+/m1/s1
InChIKeyULICSAKJZAFRAB-UTAYWCBXSA-N
XLogP-2.96
TPSA128.48 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 5-2.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze (5S,6R,7S,8S,9R)-6,7,8-trihydroxy-9-(hydroxymethyl)-2,2-dimethyl-1,10-dioxa-3-azaspiro[4.5]decan-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S,6R,7S,8S,9R)-6,7,8-trihydroxy-9-(hydroxymethyl)-2,2-dimethyl-1,10-dioxa-3-azaspiro[4.5]decan-4-one?
The IUPAC name of (5S,6R,7S,8S,9R)-6,7,8-trihydroxy-9-(hydroxymethyl)-2,2-dimethyl-1,10-dioxa-3-azaspiro[4.5]decan-4-one (CID 122218237) is (5S,6R,7S,8S,9R)-6,7,8-trihydroxy-9-(hydroxymethyl)-2,2-dimethyl-1,10-dioxa-3-azaspiro[4.5]decan-4-one.
What is the SMILES notation for (5S,6R,7S,8S,9R)-6,7,8-trihydroxy-9-(hydroxymethyl)-2,2-dimethyl-1,10-dioxa-3-azaspiro[4.5]decan-4-one?
The canonical SMILES for (5S,6R,7S,8S,9R)-6,7,8-trihydroxy-9-(hydroxymethyl)-2,2-dimethyl-1,10-dioxa-3-azaspiro[4.5]decan-4-one is CC1(C)NC(=O)[C@@]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1.
What is the InChIKey of (5S,6R,7S,8S,9R)-6,7,8-trihydroxy-9-(hydroxymethyl)-2,2-dimethyl-1,10-dioxa-3-azaspiro[4.5]decan-4-one?
The InChIKey is ULICSAKJZAFRAB-UTAYWCBXSA-N. The full InChI is InChI=1S/C10H17NO7/c1-9(2)11-8(16)10(18-9)7(15)6(14)5(13)4(3-12)17-10/h4-7,12-15H,3H2,1-2H3,(H,11,16)/t4-,5-,6+,7-,10+/m1/s1.
What are the key properties of (5S,6R,7S,8S,9R)-6,7,8-trihydroxy-9-(hydroxymethyl)-2,2-dimethyl-1,10-dioxa-3-azaspiro[4.5]decan-4-one?
(5S,6R,7S,8S,9R)-6,7,8-trihydroxy-9-(hydroxymethyl)-2,2-dimethyl-1,10-dioxa-3-azaspiro[4.5]decan-4-one has a molecular weight of 263.25 g/mol, XLogP of -2.96, 1 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R,7S,8S,9R)-6,7,8-trihydroxy-9-(hydroxymethyl)-2,2-dimethyl-1,10-dioxa-3-azaspiro[4.5]decan-4-one is sourced from PubChem (CID 122218237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).