N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-6-phosphanyloxan-3-yl]acetamide

C8H16NO6P — CID 141185533

IUPACN-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-6-phosphanyloxan-3-yl]acetamide
SMILESCC(=O)N[C@H]1C(O)O[C@@](P)(CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H16NO6P/c1-3(11)9-4-5(12)6(13)8(16,2-10)15-7(4)14/h4-7,10,12-14H,2,16H2,1H3,(H,9,11)/t4-,5-,6+,7?,8-/m1/s1
InChIKeyQZVRUMZICKNXGB-JTFAZQEDSA-N
MW253.19 g/mol
LogP-2.87
Rot. Bonds2

About N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-6-phosphanyloxan-3-yl]acetamide

N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-6-phosphanyloxan-3-yl]acetamide (PubChem CID 141185533) has the molecular formula C8H16NO6P and a molecular weight of 253.19 g/mol. Its IUPAC name is N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-6-phosphanyloxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-6-phosphanyloxan-3-yl]acetamide
PubChem CID141185533
Molecular FormulaC8H16NO6P
Molecular Weight253.19 g/mol
Exact Mass253.07
IUPAC NameN-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-6-phosphanyloxan-3-yl]acetamide
SMILESCC(=O)N[C@H]1C(O)O[C@@](P)(CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H16NO6P/c1-3(11)9-4-5(12)6(13)8(16,2-10)15-7(4)14/h4-7,10,12-14H,2,16H2,1H3,(H,9,11)/t4-,5-,6+,7?,8-/m1/s1
InChIKeyQZVRUMZICKNXGB-JTFAZQEDSA-N
XLogP-2.87
TPSA119.25 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.19
LogP ≤ 5-2.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S,3R,4R,5S,6S)-6-fluoro-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 70679361
N-[(2R,3S,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]acetamide
CID 131118562
acetic acid;N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 158802071
N-[(2R,3S,4S,5R,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11861101
N-[(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11869611
N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 58718646
N-[(3S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 16757753
ethene;N-[(4S,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 157487416
molecular hydrogen;N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 158718880
N-[(2S,3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]acetamide
CID 70004972
(1S,2R,3R,4R,5S)-4-acetamido-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octane-1-carboxylic acid
CID 123537004
N-[(3R,4R,5S,6R)-5-fluoro-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 10466144

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-6-phosphanyloxan-3-yl]acetamide?
The IUPAC name of N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-6-phosphanyloxan-3-yl]acetamide (CID 141185533) is N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-6-phosphanyloxan-3-yl]acetamide.
What is the SMILES notation for N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-6-phosphanyloxan-3-yl]acetamide?
The canonical SMILES for N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-6-phosphanyloxan-3-yl]acetamide is CC(=O)N[C@H]1C(O)O[C@@](P)(CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-6-phosphanyloxan-3-yl]acetamide?
The InChIKey is QZVRUMZICKNXGB-JTFAZQEDSA-N. The full InChI is InChI=1S/C8H16NO6P/c1-3(11)9-4-5(12)6(13)8(16,2-10)15-7(4)14/h4-7,10,12-14H,2,16H2,1H3,(H,9,11)/t4-,5-,6+,7?,8-/m1/s1.
What are the key properties of N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-6-phosphanyloxan-3-yl]acetamide?
N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-6-phosphanyloxan-3-yl]acetamide has a molecular weight of 253.19 g/mol, XLogP of -2.87, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-6-phosphanyloxan-3-yl]acetamide is sourced from PubChem (CID 141185533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).