1-[(2S,5S)-3-hydroxy-5-(hydroxymethyl)-4-(2-methoxycyclohexyl)oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione

C17H26N2O7 — CID 69356357

IUPAC1-[(2S,5S)-3-hydroxy-5-(hydroxymethyl)-4-(2-methoxycyclohexyl)oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCOC1CCCCC1OC1C(O)[C@@H](n2cc(C)c(=O)[nH]c2=O)O[C@H]1CO
InChIInChI=1S/C17H26N2O7/c1-9-7-19(17(23)18-15(9)22)16-13(21)14(12(8-20)26-16)25-11-6-4-3-5-10(11)24-2/h7,10-14,16,20-21H,3-6,8H2,1-2H3,(H,18,22,23)/t10?,11?,12-,13?,14?,16-/m0/s1
InChIKeyOWUOPZOGBMWTNP-VFJRUDCWSA-N
MW370.40 g/mol
LogP-0.56
Rot. Bonds5

About 1-[(2S,5S)-3-hydroxy-5-(hydroxymethyl)-4-(2-methoxycyclohexyl)oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione

1-[(2S,5S)-3-hydroxy-5-(hydroxymethyl)-4-(2-methoxycyclohexyl)oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 69356357) has the molecular formula C17H26N2O7 and a molecular weight of 370.40 g/mol. Its IUPAC name is 1-[(2S,5S)-3-hydroxy-5-(hydroxymethyl)-4-(2-methoxycyclohexyl)oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2S,5S)-3-hydroxy-5-(hydroxymethyl)-4-(2-methoxycyclohexyl)oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID69356357
Molecular FormulaC17H26N2O7
Molecular Weight370.40 g/mol
Exact Mass370.17
IUPAC Name1-[(2S,5S)-3-hydroxy-5-(hydroxymethyl)-4-(2-methoxycyclohexyl)oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCOC1CCCCC1OC1C(O)[C@@H](n2cc(C)c(=O)[nH]c2=O)O[C@H]1CO
InChIInChI=1S/C17H26N2O7/c1-9-7-19(17(23)18-15(9)22)16-13(21)14(12(8-20)26-16)25-11-6-4-3-5-10(11)24-2/h7,10-14,16,20-21H,3-6,8H2,1-2H3,(H,18,22,23)/t10?,11?,12-,13?,14?,16-/m0/s1
InChIKeyOWUOPZOGBMWTNP-VFJRUDCWSA-N
XLogP-0.56
TPSA123.01 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-[(1R,2R)-2-methoxycyclopentyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 118262425
1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-3-[(1R,2R)-2-methoxycyclopentyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 70853068
[(2R,5R)-4-hydroxy-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hypofluorite
CID 57032384
[(1R,2R)-2-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxycyclohexyl]urea
CID 139935837
1-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 7282395
1-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 6473775
1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 139024626
1-[(2R,5S)-4,5-bis(hydroxymethyl)-3-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;methane
CID 163539028
5-methyl-1-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione
CID 7300708
sodium [(2R,3S,4R,5R)-4-hydroxy-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate
CID 138455088
1-[(2R,3R,4R,5S)-4-hydroxy-5-(hydroxymethyl)-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 98008852
1-[(2R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 163573079

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,5S)-3-hydroxy-5-(hydroxymethyl)-4-(2-methoxycyclohexyl)oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2S,5S)-3-hydroxy-5-(hydroxymethyl)-4-(2-methoxycyclohexyl)oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 69356357) is 1-[(2S,5S)-3-hydroxy-5-(hydroxymethyl)-4-(2-methoxycyclohexyl)oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2S,5S)-3-hydroxy-5-(hydroxymethyl)-4-(2-methoxycyclohexyl)oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2S,5S)-3-hydroxy-5-(hydroxymethyl)-4-(2-methoxycyclohexyl)oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione is COC1CCCCC1OC1C(O)[C@@H](n2cc(C)c(=O)[nH]c2=O)O[C@H]1CO.
What is the InChIKey of 1-[(2S,5S)-3-hydroxy-5-(hydroxymethyl)-4-(2-methoxycyclohexyl)oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is OWUOPZOGBMWTNP-VFJRUDCWSA-N. The full InChI is InChI=1S/C17H26N2O7/c1-9-7-19(17(23)18-15(9)22)16-13(21)14(12(8-20)26-16)25-11-6-4-3-5-10(11)24-2/h7,10-14,16,20-21H,3-6,8H2,1-2H3,(H,18,22,23)/t10?,11?,12-,13?,14?,16-/m0/s1.
What are the key properties of 1-[(2S,5S)-3-hydroxy-5-(hydroxymethyl)-4-(2-methoxycyclohexyl)oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione?
1-[(2S,5S)-3-hydroxy-5-(hydroxymethyl)-4-(2-methoxycyclohexyl)oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 370.40 g/mol, XLogP of -0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,5S)-3-hydroxy-5-(hydroxymethyl)-4-(2-methoxycyclohexyl)oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 69356357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).