(5S,6S,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7,8-dihydroxy-1,10-dioxa-3-azaspiro[4.5]decan-2-one

C13H25NO6Si — CID 11823345

IUPAC(5S,6S,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7,8-dihydroxy-1,10-dioxa-3-azaspiro[4.5]decan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)CO[C@]12CNC(=O)O2
InChIInChI=1S/C13H25NO6Si/c1-12(2,3)21(4,5)20-10-9(16)8(15)6-18-13(10)7-14-11(17)19-13/h8-10,15-16H,6-7H2,1-5H3,(H,14,17)/t8-,9-,10+,13+/m1/s1
InChIKeyLTVIDTHKROSLAA-DNJQJEMRSA-N
MW319.43 g/mol
LogP0.56
Rot. Bonds2

About (5S,6S,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7,8-dihydroxy-1,10-dioxa-3-azaspiro[4.5]decan-2-one

(5S,6S,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7,8-dihydroxy-1,10-dioxa-3-azaspiro[4.5]decan-2-one (PubChem CID 11823345) has the molecular formula C13H25NO6Si and a molecular weight of 319.43 g/mol. Its IUPAC name is (5S,6S,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7,8-dihydroxy-1,10-dioxa-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5S,6S,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7,8-dihydroxy-1,10-dioxa-3-azaspiro[4.5]decan-2-one
PubChem CID11823345
Molecular FormulaC13H25NO6Si
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name(5S,6S,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7,8-dihydroxy-1,10-dioxa-3-azaspiro[4.5]decan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)CO[C@]12CNC(=O)O2
InChIInChI=1S/C13H25NO6Si/c1-12(2,3)21(4,5)20-10-9(16)8(15)6-18-13(10)7-14-11(17)19-13/h8-10,15-16H,6-7H2,1-5H3,(H,14,17)/t8-,9-,10+,13+/m1/s1
InChIKeyLTVIDTHKROSLAA-DNJQJEMRSA-N
XLogP0.56
TPSA97.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxy-tetrahydropyran-2-yl]methyl]carbamate
CID 493624
tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate
CID 12096982
tert-butyl N-[(2R)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethyl]carbamate
CID 12096984
(3'aR,5S,7'S)-7'-hydroxy-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one
CID 58766052
(3'aR,5S,7'S)-7'-[tert-butyl(dimethyl)silyl]oxy-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one
CID 58766055
(3'aR,5S,7'S)-7'-[tert-butyl(dimethyl)silyl]oxy-2'-sulfanylidenespiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one
CID 58766058
(3'aR,5S,7'S)-7'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one
CID 58766075
(3'aR,5S,7'S)-7'-[tert-butyl(dimethyl)silyl]oxy-2',2'-diethylspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one
CID 58766081
tert-butyl N-[[5-(2,3-dihydroxypropyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate
CID 117848874
(3'aR,5S,7'aS)-7'-hydroxy-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one
CID 142119913
[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl] N-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamate
CID 173142557
tert-butyl N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5R)-5-[(1R)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate
CID 10526124

Frequently Asked Questions

What is the IUPAC name of (5S,6S,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7,8-dihydroxy-1,10-dioxa-3-azaspiro[4.5]decan-2-one?
The IUPAC name of (5S,6S,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7,8-dihydroxy-1,10-dioxa-3-azaspiro[4.5]decan-2-one (CID 11823345) is (5S,6S,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7,8-dihydroxy-1,10-dioxa-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for (5S,6S,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7,8-dihydroxy-1,10-dioxa-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for (5S,6S,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7,8-dihydroxy-1,10-dioxa-3-azaspiro[4.5]decan-2-one is CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)CO[C@]12CNC(=O)O2.
What is the InChIKey of (5S,6S,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7,8-dihydroxy-1,10-dioxa-3-azaspiro[4.5]decan-2-one?
The InChIKey is LTVIDTHKROSLAA-DNJQJEMRSA-N. The full InChI is InChI=1S/C13H25NO6Si/c1-12(2,3)21(4,5)20-10-9(16)8(15)6-18-13(10)7-14-11(17)19-13/h8-10,15-16H,6-7H2,1-5H3,(H,14,17)/t8-,9-,10+,13+/m1/s1.
What are the key properties of (5S,6S,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7,8-dihydroxy-1,10-dioxa-3-azaspiro[4.5]decan-2-one?
(5S,6S,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7,8-dihydroxy-1,10-dioxa-3-azaspiro[4.5]decan-2-one has a molecular weight of 319.43 g/mol, XLogP of 0.56, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7,8-dihydroxy-1,10-dioxa-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 11823345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).