(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

C10H15NO6 — CID 142119913

IUPAC(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
SMILESCC1(C)O[C@@H]2CO[C@]3(CNC(=O)O3)C(O)[C@@H]2O1
InChIInChI=1S/C10H15NO6/c1-9(2)15-5-3-14-10(4-11-8(13)17-10)7(12)6(5)16-9/h5-7,12H,3-4H2,1-2H3,(H,11,13)/t5-,6-,7?,10+/m1/s1
InChIKeyXFJLGJNSOJZVLD-FPCPGNLUSA-N
MW245.23 g/mol
LogP-0.67
Rot. Bonds

About (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

(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 (PubChem CID 142119913) has the molecular formula C10H15NO6 and a molecular weight of 245.23 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID142119913
Molecular FormulaC10H15NO6
Molecular Weight245.23 g/mol
Exact Mass245.09
IUPAC Name(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
SMILESCC1(C)O[C@@H]2CO[C@]3(CNC(=O)O3)C(O)[C@@H]2O1
InChIInChI=1S/C10H15NO6/c1-9(2)15-5-3-14-10(4-11-8(13)17-10)7(12)6(5)16-9/h5-7,12H,3-4H2,1-2H3,(H,11,13)/t5-,6-,7?,10+/m1/s1
InChIKeyXFJLGJNSOJZVLD-FPCPGNLUSA-N
XLogP-0.67
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Related Compounds

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CID 291129
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CID 7302464
(5S,6S,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7,8-dihydroxy-1,10-dioxa-3-azaspiro[4.5]decan-2-one
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(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,4S,7'S)-7'-hydroxy-2,2,3'-trimethylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydropyrano[3,4-d][1,3]oxazole]-2'-one
CID 58766062
[(2R,3S,4S,5S)-2,3,4-trihydroxy-5-(piperidin-1-ylmethyl)oxolan-2-yl]methyl N-methylcarbamate
CID 68959859
(3aR,5R,6S,7S,7aR)-6-[(2S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-hydroxy-5-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydropyrano[2,3-d][1,3]oxazol-2-one
CID 70838200
tert-butyl N-[[5-(2,3-dihydroxypropyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate
CID 117848874
4-[2-(2-Aminoethoxy)ethoxy]-7-hydroxy-6-(hydroxymethyl)-3,3a,4,6,7,7a-hexahydropyrano[3,4-d][1,3]oxazol-2-one
CID 126717650

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC1(C)O[C@@H]2CO[C@]3(CNC(=O)O3)C(O)[C@@H]2O1.
What is the InChIKey of (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?
The InChIKey is XFJLGJNSOJZVLD-FPCPGNLUSA-N. The full InChI is InChI=1S/C10H15NO6/c1-9(2)15-5-3-14-10(4-11-8(13)17-10)7(12)6(5)16-9/h5-7,12H,3-4H2,1-2H3,(H,11,13)/t5-,6-,7?,10+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 245.23 g/mol, XLogP of -0.67, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 142119913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).