[(1R,2R,3S,4R,5S)-2-acetamido-3,4,5-triacetyloxy-1-hydroxycyclopentyl]methyl acetate

C16H23NO10 — CID 10318137

IUPAC[(1R,2R,3S,4R,5S)-2-acetamido-3,4,5-triacetyloxy-1-hydroxycyclopentyl]methyl acetate
SMILESCC(=O)N[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]1(O)COC(C)=O
InChIInChI=1S/C16H23NO10/c1-7(18)17-14-12(25-9(3)20)13(26-10(4)21)15(27-11(5)22)16(14,23)6-24-8(2)19/h12-15,23H,6H2,1-5H3,(H,17,18)/t12-,13-,14-,15+,16+/m1/s1
InChIKeyQNCRSNOXZJISBY-SUJAAXHWSA-N
MW389.36 g/mol
LogP-1.41
Rot. Bonds6

About [(1R,2R,3S,4R,5S)-2-acetamido-3,4,5-triacetyloxy-1-hydroxycyclopentyl]methyl acetate

[(1R,2R,3S,4R,5S)-2-acetamido-3,4,5-triacetyloxy-1-hydroxycyclopentyl]methyl acetate (PubChem CID 10318137) has the molecular formula C16H23NO10 and a molecular weight of 389.36 g/mol. Its IUPAC name is [(1R,2R,3S,4R,5S)-2-acetamido-3,4,5-triacetyloxy-1-hydroxycyclopentyl]methyl acetate.

Molecular Properties

Compound Name[(1R,2R,3S,4R,5S)-2-acetamido-3,4,5-triacetyloxy-1-hydroxycyclopentyl]methyl acetate
PubChem CID10318137
Molecular FormulaC16H23NO10
Molecular Weight389.36 g/mol
Exact Mass389.13
IUPAC Name[(1R,2R,3S,4R,5S)-2-acetamido-3,4,5-triacetyloxy-1-hydroxycyclopentyl]methyl acetate
SMILESCC(=O)N[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]1(O)COC(C)=O
InChIInChI=1S/C16H23NO10/c1-7(18)17-14-12(25-9(3)20)13(26-10(4)21)15(27-11(5)22)16(14,23)6-24-8(2)19/h12-15,23H,6H2,1-5H3,(H,17,18)/t12-,13-,14-,15+,16+/m1/s1
InChIKeyQNCRSNOXZJISBY-SUJAAXHWSA-N
XLogP-1.41
TPSA154.53 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

[(1S,2S,3R,4S,5S)-2-acetamido-3,4,5-triacetyloxy-1-hydroxycyclopentyl]methyl acetate
CID 10362888
[(2R,3R,4S,5S)-3,4,5,6-tetraacetyloxy-2-methyloxan-2-yl]methyl acetate
CID 90402087
[(3S,4R,5R)-3,4,5-triacetyloxy-2-hydroxyoxan-2-yl]methyl acetate
CID 91082110
[(2R,3S,4S,5R,6R)-4-acetamido-3,5-diacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2,5-bis(acetyloxymethyl)oxolan-2-yl]oxyoxan-2-yl]methyl acetate
CID 10996010
2-[(1R,2R,3R,4S,5R)-2-acetamido-3,4,5-triacetyloxycyclopentyl]ethyl acetate
CID 23634928
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-amino-6-hydroxyoxan-2-yl]methyl acetate
CID 70565465
[(2R,3R,4R,5R,6S)-6-acetyl-3,4,5-triacetyloxy-6-hydroxyoxan-2-yl]methyl acetate
CID 102050378
[(2R,3R,4S,5R,6R)-6-acetyl-3,4,5-triacetyloxy-6-hydroxyoxan-2-yl]methyl acetate
CID 69227069
methyl (2S,3S,4R,5R,6S)-5-acetamido-3,4-diacetyloxy-6-(acetyloxymethyl)-6-[(1R,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate
CID 14754763
[(1R,2R,3R,4R,5S)-4-acetamido-2-acetyloxy-3-(1-hydroxyethoxy)-6,8-dioxabicyclo[3.2.1]octan-1-yl]methyl acetate
CID 144963321
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-hydroxy-6-hydroxysulfanyloxan-2-yl]methyl acetate
CID 90799321
(3,4,5-triacetyloxy-6-carbamoyl-6-hydroxyoxan-2-yl)methyl acetate
CID 85395163

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3S,4R,5S)-2-acetamido-3,4,5-triacetyloxy-1-hydroxycyclopentyl]methyl acetate?
The IUPAC name of [(1R,2R,3S,4R,5S)-2-acetamido-3,4,5-triacetyloxy-1-hydroxycyclopentyl]methyl acetate (CID 10318137) is [(1R,2R,3S,4R,5S)-2-acetamido-3,4,5-triacetyloxy-1-hydroxycyclopentyl]methyl acetate.
What is the SMILES notation for [(1R,2R,3S,4R,5S)-2-acetamido-3,4,5-triacetyloxy-1-hydroxycyclopentyl]methyl acetate?
The canonical SMILES for [(1R,2R,3S,4R,5S)-2-acetamido-3,4,5-triacetyloxy-1-hydroxycyclopentyl]methyl acetate is CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]1(O)COC(C)=O.
What is the InChIKey of [(1R,2R,3S,4R,5S)-2-acetamido-3,4,5-triacetyloxy-1-hydroxycyclopentyl]methyl acetate?
The InChIKey is QNCRSNOXZJISBY-SUJAAXHWSA-N. The full InChI is InChI=1S/C16H23NO10/c1-7(18)17-14-12(25-9(3)20)13(26-10(4)21)15(27-11(5)22)16(14,23)6-24-8(2)19/h12-15,23H,6H2,1-5H3,(H,17,18)/t12-,13-,14-,15+,16+/m1/s1.
What are the key properties of [(1R,2R,3S,4R,5S)-2-acetamido-3,4,5-triacetyloxy-1-hydroxycyclopentyl]methyl acetate?
[(1R,2R,3S,4R,5S)-2-acetamido-3,4,5-triacetyloxy-1-hydroxycyclopentyl]methyl acetate has a molecular weight of 389.36 g/mol, XLogP of -1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3S,4R,5S)-2-acetamido-3,4,5-triacetyloxy-1-hydroxycyclopentyl]methyl acetate is sourced from PubChem (CID 10318137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).