[(2R,3S,4R,5R)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl]methyl dihydrogen phosphate

C7H16NO7P — CID 140635283

IUPAC[(2R,3S,4R,5R)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl]methyl dihydrogen phosphate
SMILESCC1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H]1N
InChIInChI=1S/C7H16NO7P/c1-3-5(8)7(10)6(9)4(15-3)2-14-16(11,12)13/h3-7,9-10H,2,8H2,1H3,(H2,11,12,13)/t3?,4-,5+,6-,7-/m1/s1
InChIKeyKMUACIPINUCYAE-BOYHRMMASA-N
MW257.18 g/mol
LogP-2.07
Rot. Bonds3

About [(2R,3S,4R,5R)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl]methyl dihydrogen phosphate

[(2R,3S,4R,5R)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl]methyl dihydrogen phosphate (PubChem CID 140635283) has the molecular formula C7H16NO7P and a molecular weight of 257.18 g/mol. Its IUPAC name is [(2R,3S,4R,5R)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl]methyl dihydrogen phosphate.

Molecular Properties

Compound Name[(2R,3S,4R,5R)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl]methyl dihydrogen phosphate
PubChem CID140635283
Molecular FormulaC7H16NO7P
Molecular Weight257.18 g/mol
Exact Mass257.07
IUPAC Name[(2R,3S,4R,5R)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl]methyl dihydrogen phosphate
SMILESCC1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H]1N
InChIInChI=1S/C7H16NO7P/c1-3-5(8)7(10)6(9)4(15-3)2-14-16(11,12)13/h3-7,9-10H,2,8H2,1H3,(H2,11,12,13)/t3?,4-,5+,6-,7-/m1/s1
InChIKeyKMUACIPINUCYAE-BOYHRMMASA-N
XLogP-2.07
TPSA142.47 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.18
LogP ≤ 5-2.07
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

[(2R,3S,4R)-3,4-dihydroxy-5-methyloxolan-2-yl]methyl dihydrogen phosphate
CID 166808827
[(2R,3S,4R,5R)-5-amino-3,4,6-trihydroxy(2,3,4,5,6-13C5)oxan-2-yl](113C)methyl dihydrogen phosphate;hydrate
CID 71317090
[(3S,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(phosphonooxymethyl)oxan-2-yl] acetate
CID 174982099
[(2R,3S,4S,5R,6R)-4-amino-3,5,6-trihydroxyoxan-2-yl]methyl dihydrogen phosphate
CID 10912218
[(3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 167077165
[(2R,4S,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 91746440
[(2R,3S,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 46876838
2-[(2R,4R,5S)-3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl]acetic acid
CID 159754254
CID 131865245
CID 131865245
CID 163774685
CID 163774685
barium(2+);hydride;[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate
CID 173352052
(3S,4R,6R)-5-amino-2-(hydroxymethyl)-6-methyloxane-3,4-diol
CID 122537280

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl]methyl dihydrogen phosphate?
The IUPAC name of [(2R,3S,4R,5R)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl]methyl dihydrogen phosphate (CID 140635283) is [(2R,3S,4R,5R)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl]methyl dihydrogen phosphate.
What is the SMILES notation for [(2R,3S,4R,5R)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl]methyl dihydrogen phosphate?
The canonical SMILES for [(2R,3S,4R,5R)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl]methyl dihydrogen phosphate is CC1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H]1N.
What is the InChIKey of [(2R,3S,4R,5R)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl]methyl dihydrogen phosphate?
The InChIKey is KMUACIPINUCYAE-BOYHRMMASA-N. The full InChI is InChI=1S/C7H16NO7P/c1-3-5(8)7(10)6(9)4(15-3)2-14-16(11,12)13/h3-7,9-10H,2,8H2,1H3,(H2,11,12,13)/t3?,4-,5+,6-,7-/m1/s1.
What are the key properties of [(2R,3S,4R,5R)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl]methyl dihydrogen phosphate?
[(2R,3S,4R,5R)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl]methyl dihydrogen phosphate has a molecular weight of 257.18 g/mol, XLogP of -2.07, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,5R)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl]methyl dihydrogen phosphate is sourced from PubChem (CID 140635283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).